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Tytuł :
DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl H-NMR probe.
Autorzy :
Liu Q; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Physiology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, Shandong, 250012, China.
He QT; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Lyu X; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Yang F; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Physiology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, Shandong, 250012, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Zhu ZL; School of Life Sciences, University of Science and Technology of China, 96 Jinzhai Road, Hefei, Anhui, 230026, China.
Xiao P; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Yang Z; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Physiology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, Shandong, 250012, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Zhang F; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Yang ZY; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.
Wang XY; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Sun P; Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, 30 Xiaohongshan Road, Wuchang District, Wuhan, Hubei, 430071, China.
Wang QW; Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, 30 Xiaohongshan Road, Wuchang District, Wuhan, Hubei, 430071, China.
Qu CX; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Gong Z; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.
Lin JY; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Physiology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, Shandong, 250012, China.
Xu Z; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Song SL; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Huang SM; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Guo SC; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China.; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Han MJ; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.; Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, 32 Xiqi Road, Airport Economic Zone, Dongli District, Tianjin, 300308, China.
Zhu KK; School of Biological Science and Technology, University of Jinan, 336 Nanxinzhuangxi Road, Shizhong District, Jinan, 250022, China.
Chen X; Department of Medicinal Chemistry, School of Pharmaceutical Engineering and Life Science, Changzhou University, Changzhou, Jiangsu, 213164, China.
Kahsai AW; Duke University, School of Medicine, Durham, NC, 27705, USA.
Xiao KH; Department of Pharmacology and Chemical Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA, 15261, USA.
Kong W; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Li FH; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China.
Ruan K; Hefei National Laboratory for Physical Science at the Microscale, University of Science and Technology of China, 443 Huangshan Road, Hefei, Anhui, 230027, China.
Li ZJ; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China.
Yu X; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Physiology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, Shandong, 250012, China.
Niu XG; Beijing Nuclear Magnetic Resonance Center, College of Chemistry and Molecular Engineering, School of Life Sciences, Peking University, Beijing, 100084, China.
Jin CW; Beijing Nuclear Magnetic Resonance Center, College of Chemistry and Molecular Engineering, School of Life Sciences, Peking University, Beijing, 100084, China.
Wang J; Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang district, Beijing, 100101, China. .; College of Life Sciences and School of Future Technology, University of Chinese Academy of Sciences, Beijing, 100049, China. .
Sun JP; Key Laboratory Experimental Teratology of the Ministry of Education and Department of Biochemistry and Molecular Biology, School of Basic Medical Sciences, Cheeloo college of Medicine, Shandong University, 44 Wenhua Xi Road, Jinan, 250012, Shandong, China. .; Key Laboratory of Molecular Cardiovascular Science, Ministry of Education, Peking University, 15 Xueyuan Road, Haidian District, Beijing, 100191, China. .
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Źródło :
Nature communications [Nat Commun] 2020 Sep 25; Vol. 11 (1), pp. 4857. Date of Electronic Publication: 2020 Sep 25.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE
MeSH Terms :
Ligands*
Arrestin/*chemistry
Arrestin/*genetics
Arrestin/*metabolism
Proton Magnetic Resonance Spectroscopy/*methods
Binding Sites ; Crystallography, X-Ray ; Humans ; Models, Molecular ; Phenylalanine ; Protein Binding ; Protein Conformation ; Receptors, Adrenergic, beta-2/metabolism ; Signal Transduction ; beta-Arrestin 1/chemistry ; beta-Arrestin 1/genetics ; beta-Arrestin 1/metabolism
Czasopismo naukowe
Tytuł :
Engineering and application of a biosensor with focused ligand specificity.
Autorzy :
Della Corte D; Institute of Biological Information Processing, IBI-7: Structural Biochemistry, Forschungszentrum Jülich, D-52425, Jülich, Germany.; Department of Physics & Astronomy, Brigham Young University, Provo, UT, USA.
van Beek HL; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Syberg F; Protein Crystallography, Biophysics, Ruhr University Bochum, D-44780, Bochum, Germany.
Schallmey M; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Tobola F; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Cormann KU; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Schlicker C; Protein Crystallography, Biophysics, Ruhr University Bochum, D-44780, Bochum, Germany.
Baumann PT; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Krumbach K; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Sokolowsky S; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.
Morris CJ; Department of Physics & Astronomy, Brigham Young University, Provo, UT, USA.
Grünberger A; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany.; Multiscale Bioengineering, Bielefeld University, D-33615, Bielefeld, Germany.
Hofmann E; Protein Crystallography, Biophysics, Ruhr University Bochum, D-44780, Bochum, Germany.
Schröder GF; Institute of Biological Information Processing, IBI-7: Structural Biochemistry, Forschungszentrum Jülich, D-52425, Jülich, Germany.; Department of Physics, Heinrich-Heine University, D-40225, Düsseldorf, Germany.; Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, D-52425, Jülich, Germany.
Marienhagen J; Institute of Bio- and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich, D-52425, Jülich, Germany. .; Institute of Biotechnology, RWTH Aachen University, Worringer Weg 3, D-52074, Aachen, Germany. .
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Źródło :
Nature communications [Nat Commun] 2020 Sep 25; Vol. 11 (1), pp. 4851. Date of Electronic Publication: 2020 Sep 25.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE
MeSH Terms :
Ligands*
Amino Acid Transport Systems, Basic/*chemistry
Bacterial Proteins/*chemistry
Biosensing Techniques/*methods
Metabolic Engineering/*methods
Amino Acid Transport Systems, Basic/metabolism ; Bacterial Proteins/metabolism ; Corynebacterium glutamicum/metabolism ; Crystallography ; Flow Cytometry/methods ; High-Throughput Screening Assays/methods ; Lysine/metabolism ; Microfluidic Analytical Techniques ; Models, Molecular ; Protein Conformation ; Protein Domains ; Thermodynamics
Czasopismo naukowe
Tytuł :
Combinatorial entropy behaviour leads to range selective binding in ligand-receptor interactions.
Autorzy :
Liu M; Beijing Advanced Innovation Centre for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing, People's Republic of China.; Institute of Physics, Chinese Academy of Science, Beijing, People's Republic of China.
Apriceno A; Department of Chemistry, University College London, London, UK.; Institute for the Physics of Living Systems, University College London, London, UK.
Sipin M; Department of Chemistry, University College London, London, UK.; Institute for the Physics of Living Systems, University College London, London, UK.
Scarpa E; Department of Chemistry, University College London, London, UK.; Institute for the Physics of Living Systems, University College London, London, UK.
Rodriguez-Arco L; Department of Chemistry, University College London, London, UK.; Institute for the Physics of Living Systems, University College London, London, UK.
Poma A; Division of Biomaterials and Tissue Engineering, Eastman Dental Institute, University College London, London, UK.
Marchello G; Institute for the Physics of Living Systems, University College London, London, UK.; Physical Chemistry Chemical Physics Division, Department of Chemistry, University College London, London, UK.; The UCL EPSRC/JEOL Centre for Liquid Phase Electron Microscopy, London, UK.
Battaglia G; Department of Chemistry, University College London, London, UK. .; Institute for the Physics of Living Systems, University College London, London, UK. .; The UCL EPSRC/JEOL Centre for Liquid Phase Electron Microscopy, London, UK. .; Institute for Bioengineering of Catalonia (IBEC), The Barcelona Institute for Science and Technology (BIST), Barcelona, Spain. .; Catalan Institution for Research and Advanced Studies (ICREA), Barcelona, Spain. .
Angioletti-Uberti S; Institute of Physics, Chinese Academy of Science, Beijing, People's Republic of China. .; Department of Materials, Imperial College London, London, UK. .
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Źródło :
Nature communications [Nat Commun] 2020 Sep 24; Vol. 11 (1), pp. 4836. Date of Electronic Publication: 2020 Sep 24.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE
MeSH Terms :
Entropy*
Ligands*
Nanoparticles/*chemistry
Biophysical Phenomena ; Models, Theoretical ; Particle Size
Czasopismo naukowe
Tytuł :
Prohibitin ligands: a growing armamentarium to tackle cancers, osteoporosis, inflammatory, cardiac and neurological diseases.
Autorzy :
Wang D; Sino-French Joint Lab of Food Nutrition/Safety and Medicinal Chemistry, College of Biotechnology, Tianjin University of Science and Technology, Tianjin, China.
Tabti R; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France.
Elderwish S; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France.
Abou-Hamdan H; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France.
Djehal A; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France.; Superior National School Biotechnology Taoufik Khaznadar, Ville universitaire Ali Mendjeli, BP E66 25100, Constantine, Algeria.
Yu P; Sino-French Joint Lab of Food Nutrition/Safety and Medicinal Chemistry, College of Biotechnology, Tianjin University of Science and Technology, Tianjin, China.
Yurugi H; Cell Biology Unit, University Medical Center Mainz, JGU-Mainz, Mainz, Germany.
Rajalingam K; Cell Biology Unit, University Medical Center Mainz, JGU-Mainz, Mainz, Germany.
Nebigil CG; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France.
Désaubry L; Sino-French Joint Lab of Food Nutrition/Safety and Medicinal Chemistry, College of Biotechnology, Tianjin University of Science and Technology, Tianjin, China. .; Laboratory of Cardio-Oncology and Medicinal Chemistry (FRE 2033), CNRS, Institut Le Bel, 4 rue Blaise Pascal, CS 90032, 67081, Strasbourg, France. .
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Źródło :
Cellular and molecular life sciences : CMLS [Cell Mol Life Sci] 2020 Sep; Vol. 77 (18), pp. 3525-3546. Date of Electronic Publication: 2020 Feb 15.
Typ publikacji :
Journal Article; Review
Journal Info :
Publisher: Springer Country of Publication: Switzerland NLM ID: 9705402 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1420-9071 (Electronic) Linking ISSN: 1420682X NLM ISO Abbreviation: Cell. Mol. Life Sci. Subsets: MEDLINE
MeSH Terms :
Ligands*
Heart Diseases/*pathology
Neoplasms/*therapy
Nervous System Diseases/*therapy
Osteoporosis/*therapy
Repressor Proteins/*metabolism
Gene Expression ; Heart Diseases/metabolism ; Heart Diseases/therapy ; Humans ; Neoplasms/metabolism ; Neoplasms/pathology ; Nervous System Diseases/metabolism ; Nervous System Diseases/pathology ; Osteoporosis/metabolism ; Osteoporosis/pathology ; Protein Processing, Post-Translational ; Repressor Proteins/chemistry ; Repressor Proteins/genetics ; Signal Transduction
Czasopismo naukowe
Tytuł :
Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking.
Autorzy :
Li C; Key Laboratory of Advanced Process Control for Light Industry (Ministry of Education), No. 1800, Lihu Avenue, Wuxi, Jiangsu, 214122, PR China.
Sun J; Key Laboratory of Advanced Process Control for Light Industry (Ministry of Education), No. 1800, Lihu Avenue, Wuxi, Jiangsu, 214122, PR China. .
Palade V; Faculty of Engineering and Computing, Coventry University, Priory Street, Coventry, CV1 5FB, UK.
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Źródło :
BMC bioinformatics [BMC Bioinformatics] 2020 Jul 06; Vol. 21 (1), pp. 286. Date of Electronic Publication: 2020 Jul 06.
Typ publikacji :
Journal Article
Journal Info :
Publisher: BioMed Central Country of Publication: England NLM ID: 100965194 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2105 (Electronic) Linking ISSN: 14712105 NLM ISO Abbreviation: BMC Bioinformatics Subsets: MEDLINE
MeSH Terms :
Algorithms*
Drug Design*
Ligands*
Humans ; Proteins/chemistry
Czasopismo naukowe
Tytuł :
The membrane receptors that appeared before their ligand: The different proposed scenarios.
Autorzy :
Grandchamp A; PRC, UMR85, INRA, CNRS, IFCE, Université de Tours, Nouzilly, France.
Monget P; PRC, UMR85, INRA, CNRS, IFCE, Université de Tours, Nouzilly, France.
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Źródło :
PloS one [PLoS One] 2020 May 22; Vol. 15 (5), pp. e0231813. Date of Electronic Publication: 2020 May 22 (Print Publication: 2020).
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS ONE Subsets: MEDLINE
MeSH Terms :
Evolution, Molecular*
Ligands*
Receptors, Cell Surface*/genetics
Receptors, Cell Surface*/metabolism
Binding Sites/*genetics
Protein Binding/*genetics
Amino Acid Sequence/genetics ; Animals ; Computer Simulation ; Humans ; Models, Molecular ; Molecular Conformation
Czasopismo naukowe
Tytuł :
Behavior of glutathione as ligand of lead (II).
Autorzy :
Bottari E; Chemistry Department, Roma University 'La Sapienza', P.le A. Moro 5, 00185, Rome, Italy. Electronic address: .
De Tommaso G; Chemistry Sciences Department, Naples University 'Federico II', Via Cintia, Monte Sant'angelo, 21 Naples, Italy. Electronic address: .
Festa MR; Chemistry Department, Roma University 'La Sapienza', P.le A. Moro 5, 00185, Rome, Italy. Electronic address: .
Iuliano M; Chemistry Sciences Department, Naples University 'Federico II', Via Cintia, Monte Sant'angelo, 21 Naples, Italy. Electronic address: .
Zennaro G; Chemistry Department, Roma University 'La Sapienza', P.le A. Moro 5, 00185, Rome, Italy. Electronic address: .
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Źródło :
Chemosphere [Chemosphere] 2020 May; Vol. 246, pp. 125718. Date of Electronic Publication: 2019 Dec 24.
Typ publikacji :
Journal Article
Journal Info :
Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 0320657 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-1298 (Electronic) Linking ISSN: 00456535 NLM ISO Abbreviation: Chemosphere Subsets: MEDLINE
MeSH Terms :
Ligands*
Glutathione/*metabolism
Lead/*metabolism
Cations ; Glutathione/chemistry ; Hydrogen-Ion Concentration ; Lead/chemistry ; Magnetic Resonance Spectroscopy ; Potentiometry ; Protons ; Spectrophotometry
Czasopismo naukowe
Tytuł :
Receptor tyrosine kinase activation: From the ligand perspective.
Autorzy :
Trenker R; Cardiovascular Research Institute, University of California San Francisco, San Francisco, CA, 94158, USA.
Jura N; Cardiovascular Research Institute, University of California San Francisco, San Francisco, CA, 94158, USA; Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, CA, 94158, USA. Electronic address: .
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Źródło :
Current opinion in cell biology [Curr Opin Cell Biol] 2020 Apr; Vol. 63, pp. 174-185. Date of Electronic Publication: 2020 Feb 27.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Review
Journal Info :
Publisher: Elsevier Country of Publication: England NLM ID: 8913428 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0410 (Electronic) Linking ISSN: 09550674 Subsets: MEDLINE
MeSH Terms :
Ligands*
Receptor Protein-Tyrosine Kinases/*agonists
Receptor Protein-Tyrosine Kinases/*metabolism
Animals ; Cell Membrane/drug effects ; Cell Membrane/metabolism ; Enzyme Activation/drug effects ; Humans ; Phosphorylation ; Receptor Protein-Tyrosine Kinases/chemistry ; Signal Transduction/drug effects ; Signal Transduction/physiology
Czasopismo naukowe
Tytuł :
visGReMLIN: graph mining-based detection and visualization of conserved motifs at 3D protein-ligand interface at the atomic level.
Autorzy :
Ribeiro VS; Department of Computer Science, Universidade Federal de Viçosa, Viçosa, 36570-900, Brazil.
Santana CA; Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, 31270-901, Brazil.
Fassio AV; Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, 31270-901, Brazil.
Cerqueira FR; Department of Production Engineering, Universidade Federal Fluminense, Petrópolis, 25650-050, Brazil.
da Silveira CH; Department of Computer Engineering, Advanced Campus at Itabira, Universidade Federal de Itajubá, Itabira, 35903-087, Brazil.
Romanelli JPR; Department of Computer Engineering, Advanced Campus at Itabira, Universidade Federal de Itajubá, Itabira, 35903-087, Brazil.
Patarroyo-Vargas A; Department of Biochemistry and Molecular Biology, Universidade Federal de Viçosa, Viçosa, 36570-900, Brazil.
Oliveira MGA; Department of Biochemistry and Molecular Biology, Universidade Federal de Viçosa, Viçosa, 36570-900, Brazil.; Instituto de Biotecnologia aplicada à Agropecuária (BIOAGRO), Universidade Federal de Viçosa, Viçosa, 36570-900, Brazil.
Gonçalves-Almeida V; Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Belo Horizonte, 31270-901, Brazil.
Izidoro SC; Department of Computer Engineering, Advanced Campus at Itabira, Universidade Federal de Itajubá, Itabira, 35903-087, Brazil.
de Melo-Minardi RC; Department of Computer Science, Universidade Federal de Minas Gerais, Belo Horizonte, 31270-901, Brazil.
Silveira SA; Department of Computer Science, Universidade Federal de Viçosa, Viçosa, 36570-900, Brazil. .; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Hinxton, CB10 1SD, UK. .
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Źródło :
BMC bioinformatics [BMC Bioinformatics] 2020 Mar 11; Vol. 21 (Suppl 2), pp. 80. Date of Electronic Publication: 2020 Mar 11.
Typ publikacji :
Journal Article
Journal Info :
Publisher: BioMed Central Country of Publication: England NLM ID: 100965194 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2105 (Electronic) Linking ISSN: 14712105 NLM ISO Abbreviation: BMC Bioinformatics Subsets: MEDLINE
MeSH Terms :
Ligands*
User-Computer Interface*
Proteins/*metabolism
Humans ; Hydrogen Bonding ; Hydrophobic and Hydrophilic Interactions ; Protein Binding ; Proteins/chemistry
Czasopismo naukowe
Tytuł :
GSP4PDB: a web tool to visualize, search and explore protein-ligand structural patterns.
Autorzy :
Angles R; Department of Computer Science, Universidad de Talca, Camino Los Niches Km 1, Curicó, Chile. .; Millennium Institute for Foundational Research on Data, Santiago, Chile. .
Arenas-Salinas M; Centro de Bioinformática y Simulación Molecular, Universidad de Talca, Talca, Chile.; Faculty of Engineering, Universidad de Talca, Camino Los Niches Km 1, Curicó, Chile.
García R; Millennium Institute for Foundational Research on Data, Santiago, Chile.; Faculty of Engineering, Universidad de Talca, Camino Los Niches Km 1, Curicó, Chile.
Reyes-Suarez JA; Centro de Bioinformática y Simulación Molecular, Universidad de Talca, Talca, Chile.; Faculty of Engineering, Universidad de Talca, Camino Los Niches Km 1, Curicó, Chile.
Pohl E; Department of Chemistry, Durham University, Durham, DH1 3LE, United Kingdom.; Department of Biosciences, Durham University, Durham, DH1 3LE, United Kingdom.
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Źródło :
BMC bioinformatics [BMC Bioinformatics] 2020 Mar 11; Vol. 21 (Suppl 2), pp. 85. Date of Electronic Publication: 2020 Mar 11.
Typ publikacji :
Journal Article
Journal Info :
Publisher: BioMed Central Country of Publication: England NLM ID: 100965194 Publication Model: Electronic Cited Medium: Internet ISSN: 1471-2105 (Electronic) Linking ISSN: 14712105 NLM ISO Abbreviation: BMC Bioinformatics Subsets: MEDLINE
MeSH Terms :
Ligands*
User-Computer Interface*
Proteins/*metabolism
Animals ; Databases, Protein ; Humans ; Hydrogen Bonding ; Protein Interaction Maps ; Protein Structure, Secondary ; Protein Structure, Tertiary ; Proteins/chemistry ; Zinc Fingers
Czasopismo naukowe
Tytuł :
Transient States and Barriers from Molecular Simulations and the Milestoning Theory: Kinetics in Ligand-Protein Recognition and Compound Design.
Autorzy :
Tang Z; Department of Chemistry, University of California Riverside, Riverside, California 92521, United States.
Chen SH; Department of Chemistry, University of California Riverside, Riverside, California 92521, United States.
Chang CA; Department of Chemistry, University of California Riverside, Riverside, California 92521, United States.
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Źródło :
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Mar 10; Vol. 16 (3), pp. 1882-1895. Date of Electronic Publication: 2020 Feb 20.
Typ publikacji :
Journal Article
Journal Info :
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
MeSH Terms :
Kinetics*
Ligands*
Molecular Dynamics Simulation/*standards
Protein Binding/*physiology
Proteins/*chemistry
Humans
Czasopismo naukowe
Tytuł :
Sampling Conformational Changes of Bound Ligands Using Nonequilibrium Candidate Monte Carlo and Molecular Dynamics.
Autorzy :
Sasmal S; Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.
Gill SC; Department of Chemistry, University of California, Irvine, California 92697, United States.
Lim NM; Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.
Mobley DL; Department of Chemistry, University of California, Irvine, California 92697, United States.; Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States.
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Źródło :
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Mar 10; Vol. 16 (3), pp. 1854-1865. Date of Electronic Publication: 2020 Feb 24.
Typ publikacji :
Journal Article
Journal Info :
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
MeSH Terms :
Ligands*
Monte Carlo Method*
Molecular Dynamics Simulation/*standards
Humans
Czasopismo naukowe
Tytuł :
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Autorzy :
Stein RM; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA.
Kang HJ; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
McCorvy JD; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.; Department of Cell Biology, Neurobiology and Anatomy, Medical College of Wisconsin, Milwaukee, WI, USA.
Glatfelter GC; Department of Pharmacology and Toxicology, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo (SUNY), The State University of New York, Buffalo, NY, USA.; Designer Drug Research Unit, National Institute on Drug Abuse Intramural Research Program, Baltimore, MD, USA.
Jones AJ; Department of Pharmacology and Toxicology, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo (SUNY), The State University of New York, Buffalo, NY, USA.
Che T; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Slocum S; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Huang XP; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Savych O; Enamine Ltd, Kiev, Ukraine.
Moroz YS; National Taras Shevchenko University of Kyiv, Kiev, Ukraine.; Chemspace, Monmouth Junction, NJ, USA.
Stauch B; Bridge Institute, USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA, USA.
Johansson LC; Bridge Institute, USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA, USA.
Cherezov V; Bridge Institute, USC Michelson Center for Convergent Biosciences, University of Southern California, Los Angeles, CA, USA.; Department of Chemistry, University of Southern California, Los Angeles, CA, USA.
Kenakin T; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
Irwin JJ; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA.
Shoichet BK; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA, USA. .
Roth BL; Department of Pharmacology, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. .
Dubocovich ML; Department of Pharmacology and Toxicology, Jacobs School of Medicine and Biomedical Sciences, University at Buffalo (SUNY), The State University of New York, Buffalo, NY, USA. .
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Źródło :
Nature [Nature] 2020 Mar; Vol. 579 (7800), pp. 609-614. Date of Electronic Publication: 2020 Feb 10.
Typ publikacji :
Journal Article
Journal Info :
Publisher: Nature Publishing Group Country of Publication: England NLM ID: 0410462 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-4687 (Electronic) Linking ISSN: 00280836 NLM ISO Abbreviation: Nature Subsets: MEDLINE
MeSH Terms :
Ligands*
Circadian Rhythm/*physiology
Receptors, Melatonin/*agonists
Receptors, Melatonin/*metabolism
Animals ; Circadian Rhythm/drug effects ; Darkness ; Drug Evaluation, Preclinical ; Drug Inverse Agonism ; Female ; Humans ; Light ; Male ; Mice ; Mice, Knockout ; Molecular Docking Simulation ; Receptor, Melatonin, MT1/agonists ; Receptor, Melatonin, MT1/deficiency ; Receptor, Melatonin, MT1/genetics ; Receptor, Melatonin, MT1/metabolism ; Receptor, Melatonin, MT2/agonists ; Receptor, Melatonin, MT2/deficiency ; Receptor, Melatonin, MT2/genetics ; Receptor, Melatonin, MT2/metabolism ; Receptors, Melatonin/deficiency ; Receptors, Melatonin/genetics ; Small Molecule Libraries/pharmacology ; Substrate Specificity/genetics
Czasopismo naukowe
Tytuł :
Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.
Autorzy :
Whitfield TW; Department of Medicine , University of Massachusetts Medical School , Worcester , Massachusetts 01605 , United States.; Program in Bioinformatics and Integrative Biology , University of Massachusetts Medical School , Worcester , Massachusetts 01605 , United States.
Ragland DA; Department of Biochemistry and Molecular Pharmacology , University of Massachusetts Medical School , Worcester , Massachusetts 01605 , United States.
Zeldovich KB; Program in Bioinformatics and Integrative Biology , University of Massachusetts Medical School , Worcester , Massachusetts 01605 , United States.
Schiffer CA; Department of Biochemistry and Molecular Pharmacology , University of Massachusetts Medical School , Worcester , Massachusetts 01605 , United States.
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Źródło :
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Feb 11; Vol. 16 (2), pp. 1284-1299. Date of Electronic Publication: 2020 Jan 16.
Typ publikacji :
Journal Article
Journal Info :
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
MeSH Terms :
Drug Resistance, Viral*
Ligands*
Machine Learning*
HIV Protease/*metabolism
HIV-1/*enzymology
HIV Protease/chemistry ; HIV Protease/genetics ; HIV Protease Inhibitors/chemistry ; HIV Protease Inhibitors/metabolism ; Humans ; Hydrogen Bonding ; Molecular Dynamics Simulation ; Monte Carlo Method ; Mutation ; Protein Binding ; Static Electricity
Czasopismo naukowe
Tytuł :
Combined Linear Interaction Energy and Alchemical Solvation Free-Energy Approach for Protein-Binding Affinity Computation.
Autorzy :
Rifai EA; AIMMS Division of Molecular and Computational Toxicology, Department of Chemistry and Pharmaceutical Sciences , Vrije Universiteit Amsterdam , De Boelelaan 1108 , 1081 HZ Amsterdam , The Netherlands.
Ferrario V; Institute of Biochemistry and Technical Biochemistry , Universität Stuttgart , Allmandring 31 , 70569 Stuttgart , Germany.
Pleiss J; Institute of Biochemistry and Technical Biochemistry , Universität Stuttgart , Allmandring 31 , 70569 Stuttgart , Germany.
Geerke DP; AIMMS Division of Molecular and Computational Toxicology, Department of Chemistry and Pharmaceutical Sciences , Vrije Universiteit Amsterdam , De Boelelaan 1108 , 1081 HZ Amsterdam , The Netherlands.
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Źródło :
Journal of chemical theory and computation [J Chem Theory Comput] 2020 Feb 11; Vol. 16 (2), pp. 1300-1310. Date of Electronic Publication: 2020 Jan 21.
Typ publikacji :
Journal Article
Journal Info :
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
MeSH Terms :
Ligands*
Molecular Dynamics Simulation*
Cytochrome P-450 CYP2A6/*chemistry
Cytochrome P-450 CYP2A6/metabolism ; Cytochrome P-450 Enzyme Inhibitors/chemistry ; Cytochrome P-450 Enzyme Inhibitors/metabolism ; Humans ; Protein Binding ; Thermodynamics
Czasopismo naukowe
Tytuł :
SNMFSMMA: using symmetric nonnegative matrix factorization and Kronecker regularized least squares to predict potential small molecule-microRNA association.
Autorzy :
Zhao Y; School of Information and Control Engineering, China University of Mining and Technology, Xuzhou, China.
Chen X; School of Information and Control Engineering, China University of Mining and Technology, Xuzhou, China.
Yin J; School of Information and Control Engineering, China University of Mining and Technology, Xuzhou, China.
Qu J; School of Information and Control Engineering, China University of Mining and Technology, Xuzhou, China.
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Źródło :
RNA biology [RNA Biol] 2020 Feb; Vol. 17 (2), pp. 281-291. Date of Electronic Publication: 2019 Nov 27.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Taylor & Francis Country of Publication: United States NLM ID: 101235328 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1555-8584 (Electronic) Linking ISSN: 15476286 NLM ISO Abbreviation: RNA Biol Subsets: MEDLINE
MeSH Terms :
Drug Discovery*/methods
Ligands*
Software*
Computational Biology/*methods
MicroRNAs/*chemistry
Algorithms ; Antineoplastic Agents/pharmacology ; Drug Resistance, Neoplasm/genetics ; Genetic Predisposition to Disease ; Humans ; MicroRNAs/genetics ; ROC Curve ; Reproducibility of Results
Czasopismo naukowe
Tytuł :
Enthalpically-driven ligand recognition and cavity solvation of bovine odorant binding protein.
Autorzy :
Gómez-Velasco H; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de México 04510, Mexico.
Rojo-Domínguez A; Universidad Autónoma Metropolitana, Unidad Cuajimalpa, Departamento de Ciencias Naturales, Mexico.
García-Hernández E; Universidad Nacional Autónoma de México, Instituto de Química, Ciudad Universitaria, Ciudad de México 04510, Mexico. Electronic address: .
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Źródło :
Biophysical chemistry [Biophys Chem] 2020 Feb; Vol. 257, pp. 106315. Date of Electronic Publication: 2019 Dec 09.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
Journal Info :
Publisher: Elsevier Science B.V Country of Publication: Netherlands NLM ID: 0403171 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4200 (Electronic) Linking ISSN: 03014622 NLM ISO Abbreviation: Biophys. Chem. Subsets: MEDLINE
MeSH Terms :
Ligands*
Receptors, Odorant/*chemistry
Solvents/*chemistry
Animals ; Binding Sites ; Cattle ; Hydrophobic and Hydrophilic Interactions ; Molecular Dynamics Simulation ; Mutagenesis, Site-Directed ; Protein Stability ; Receptors, Odorant/genetics ; Receptors, Odorant/metabolism ; Recombinant Proteins/biosynthesis ; Recombinant Proteins/chemistry ; Recombinant Proteins/isolation & purification ; Thermodynamics ; Water/chemistry
Czasopismo naukowe
Tytuł :
Molecular Pharmacology of Class F Receptor Activation.
Autorzy :
Kozielewicz P; Section of Receptor Biology and Signaling, Department Physiology and Pharmacology, Karolinska Institutet, Stockholm, Sweden.
Turku A; Section of Receptor Biology and Signaling, Department Physiology and Pharmacology, Karolinska Institutet, Stockholm, Sweden.
Schulte G; Section of Receptor Biology and Signaling, Department Physiology and Pharmacology, Karolinska Institutet, Stockholm, Sweden .
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Źródło :
Molecular pharmacology [Mol Pharmacol] 2020 Feb; Vol. 97 (2), pp. 62-71. Date of Electronic Publication: 2019 Oct 07.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't; Review
Journal Info :
Publisher: American Society for Pharmacology and Experimental Therapeutics Country of Publication: United States NLM ID: 0035623 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-0111 (Electronic) Linking ISSN: 0026895X NLM ISO Abbreviation: Mol. Pharmacol. Subsets: MEDLINE
MeSH Terms :
Ligands*
Embryonic Development/*drug effects
Frizzled Receptors/*agonists
Molecular Targeted Therapy/*methods
Smoothened Receptor/*agonists
Animals ; Drug Discovery/methods ; Embryonic Development/physiology ; Frizzled Receptors/metabolism ; Hedgehog Proteins/metabolism ; Humans ; Protein Binding ; Signal Transduction/drug effects ; Signal Transduction/physiology ; Smoothened Receptor/metabolism ; Structure-Activity Relationship ; Wnt Proteins/metabolism
Czasopismo naukowe
Tytuł :
Emerging PD-1 and PD-1L inhibitors-associated myopathy with a characteristic histopathological pattern.
Autorzy :
Matas-García A; Muscle Research Unit, Internal Medicine Service, Hospital Clínic de Barcelona (HCB), Universidad de Barcelona, Center for Biomedical Research on Rare Diseases (CIBERER), Barcelona, Spain.
Milisenda JC; Muscle Research Unit, Internal Medicine Service, Hospital Clínic de Barcelona (HCB), Universidad de Barcelona, Center for Biomedical Research on Rare Diseases (CIBERER), Barcelona, Spain. Electronic address: .
Selva-O'Callaghan A; Systemic Autoimmune Diseases Unit, Hospital Universitari Vall d'Hebron (HVH), UniversitatAutònoma de Barcelona, Barcelona, Spain.
Prieto-González S; Department of Autoimmune Diseases, Hospital Clínic de Barcelona, Universitat de Barcelona, Spain.
Padrosa J; Muscle Research Unit, Internal Medicine Service, Hospital Clínic de Barcelona (HCB), Universidad de Barcelona, Center for Biomedical Research on Rare Diseases (CIBERER), Barcelona, Spain.
Cabrera C; Medical Oncology Department, Hospital Clínic de Barcelona, Spain.
Reguart N; Medical Oncology Department, Hospital Clínic de Barcelona, Spain.
Castrejón N; Pathology Department, Hospital Clínic de Barcelona, Spain.
Solé M; Pathology Department, Hospital Clínic de Barcelona, Spain.
Ros J; Medical Oncology Department, Hospital Universitari Vall d'Hebron (HVH), Barcelona, Spain.
Trallero-Araguas E; Rheumatology Unit, Hospital Universitari Vall d'Hebron (HVH), Barcelona, Spain.
Antoniol MN; Internal Medicine Department, Rheumatology Section, FLENI, Buenos Aires, Argentina.
Vila-Pijoan G; Immunology Department, Hospital Universitari Vall d'Hebron, Barcelona, Spain.
Grau JM; Muscle Research Unit, Internal Medicine Service, Hospital Clínic de Barcelona (HCB), Universidad de Barcelona, Center for Biomedical Research on Rare Diseases (CIBERER), Barcelona, Spain.
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Źródło :
Autoimmunity reviews [Autoimmun Rev] 2020 Feb; Vol. 19 (2), pp. 102455. Date of Electronic Publication: 2019 Dec 12.
Typ publikacji :
Journal Article
Journal Info :
Publisher: Elsevier Country of Publication: Netherlands NLM ID: 101128967 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-0183 (Electronic) Linking ISSN: 15689972 NLM ISO Abbreviation: Autoimmun Rev Subsets: MEDLINE
MeSH Terms :
Ligands*
Myotoxicity/*pathology
Programmed Cell Death 1 Receptor/*antagonists & inhibitors
Aged ; Aged, 80 and over ; Female ; Humans ; Male ; Middle Aged ; Myasthenia Gravis/chemically induced ; Myasthenia Gravis/metabolism ; Myasthenia Gravis/pathology ; Myositis/chemically induced ; Myositis/metabolism ; Myositis/pathology ; Myotoxicity/metabolism ; Retrospective Studies
Czasopismo naukowe
Tytuł :
Allosteric Binding Sites On Nuclear Receptors: Focus On Drug Efficacy and Selectivity.
Autorzy :
Fischer A; Computational Pharmacy, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, CH-4056 Basel, Switzerland.
Smieško M; Computational Pharmacy, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, CH-4056 Basel, Switzerland.
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Źródło :
International journal of molecular sciences [Int J Mol Sci] 2020 Jan 14; Vol. 21 (2). Date of Electronic Publication: 2020 Jan 14.
Typ publikacji :
Journal Article
Journal Info :
Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE
MeSH Terms :
Allosteric Site*
Binding Sites*
Ligands*
Molecular Docking Simulation*
Molecular Dynamics Simulation*
Receptors, Cytoplasmic and Nuclear/*chemistry
Allosteric Regulation/drug effects ; Molecular Conformation ; Protein Binding ; Quantitative Structure-Activity Relationship ; Receptors, Cytoplasmic and Nuclear/metabolism
Czasopismo naukowe

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