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Wyszukujesz frazę ""Models, Molecular"" wg kryterium: Temat


Tytuł:
The structure of caseinolytic protease subunit ClpP2 reveals a functional model of the caseinolytic protease system from Chlamydia trachomatis.
Autorzy:
Azadmanesh J; The Eppley Institute for Research in Cancer and Allied Diseases, Fred & Pamela Buffett Cancer Center, University of Nebraska Medical Center, Omaha, Nebraska, USA.
Seleem MA; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, 986125 Nebraska Medical Center, Omaha, Nebraska, USA.
Struble L; The Eppley Institute for Research in Cancer and Allied Diseases, Fred & Pamela Buffett Cancer Center, University of Nebraska Medical Center, Omaha, Nebraska, USA.
Wood NA; Department of Pathology and Microbiology, University of Nebraska Medical Center, 985900 Nebraska Medical Center, Omaha, Nebraska, USA.
Fisher DJ; School of Biological Sciences, Southern Illinois University Carbondale, Carbondale, Illinois, USA.
Lovelace JJ; The Eppley Institute for Research in Cancer and Allied Diseases, Fred & Pamela Buffett Cancer Center, University of Nebraska Medical Center, Omaha, Nebraska, USA.
Artigues A; Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center, Kansas City, Kansas, USA.
Fenton AW; Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center, Kansas City, Kansas, USA.
Borgstahl GEO; The Eppley Institute for Research in Cancer and Allied Diseases, Fred & Pamela Buffett Cancer Center, University of Nebraska Medical Center, Omaha, Nebraska, USA.
Ouellette SP; Department of Pathology and Microbiology, University of Nebraska Medical Center, 985900 Nebraska Medical Center, Omaha, Nebraska, USA.
Conda-Sheridan M; Department of Pharmaceutical Sciences, University of Nebraska Medical Center, 986125 Nebraska Medical Center, Omaha, Nebraska, USA. Electronic address: .
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Źródło:
The Journal of biological chemistry [J Biol Chem] 2023 Jan; Vol. 299 (1), pp. 102762. Date of Electronic Publication: 2022 Dec 01.
Typ publikacji:
Journal Article; Research Support, N.I.H., Extramural
MeSH Terms:
Chlamydia trachomatis*/enzymology
Endopeptidase Clp*/chemistry
Endopeptidase Clp*/metabolism
Models, Molecular*
Humans ; Anti-Bacterial Agents ; Bacterial Proteins/chemistry ; Bacterial Proteins/metabolism ; Crystallization ; Protein Domains
Czasopismo naukowe
Tytuł:
Molecular basis for the recruitment of the Rab effector protein WDR44 by the GTPase Rab11.
Autorzy:
Thibodeau MC; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Harris NJ; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Jenkins ML; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Parson MAH; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Evans JT; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Scott MK; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada.
Shaw AL; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada; Department of Biochemistry and Molecular Biology, The University of British Columbia, Vancouver, British Columbia, Canada.
Pokorný D; Max Perutz Labs, Department of Structural and Computational Biology, Vienna, Austria; Department of Medical Biochemistry, Medical University of Vienna, Vienna, Austria.
Leonard TA; Max Perutz Labs, Department of Structural and Computational Biology, Vienna, Austria; Department of Medical Biochemistry, Medical University of Vienna, Vienna, Austria.
Burke JE; Department of Biochemistry and Microbiology, University of Victoria, Victoria, British Columbia, Canada; Department of Biochemistry and Molecular Biology, The University of British Columbia, Vancouver, British Columbia, Canada. Electronic address: .
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Źródło:
The Journal of biological chemistry [J Biol Chem] 2023 Jan; Vol. 299 (1), pp. 102764. Date of Electronic Publication: 2022 Dec 01.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
GTP Phosphohydrolases*/chemistry
GTP Phosphohydrolases*/metabolism
I-kappa B Kinase*/metabolism
Models, Molecular*
rab GTP-Binding Proteins*/chemistry
rab GTP-Binding Proteins*/metabolism
Protein Binding ; Mass Spectrometry
Czasopismo naukowe
Tytuł:
Chemical Stability of Petrichorins.
Autorzy:
Li C; Department of Pharmaceutical Sciences, Daniel K. Inouye College of Pharmacy, University of Hawaii at Hilo, 200 West Kawili Street, Hilo, Hawaii 96720, United States.; Cancer Biology Program, University of Hawaii Cancer Center, 701 Ilalo Street, Honolulu, Hawaii 96813, United States.
Sarotti AM; Instituto de Química Rosario (CONICET), Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Suipacha 531, Rosario 2000, Argentina.
Daranas AH; Instituto de Productos Naturales y Agrobiología, Consejo Superior de Investigaciones Científicas (IPNA-CSIC), 38206 La Laguna, Tenerife, Spain.
Wu X; Department of Pharmaceutical Sciences, Daniel K. Inouye College of Pharmacy, University of Hawaii at Hilo, 200 West Kawili Street, Hilo, Hawaii 96720, United States.
Zheng SL; Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States.
Blodgett JAV; Department of Biology, Washington University in St. Louis, One Brookings Drive, St. Louis, Missouri 63130, United States.
Cao S; Department of Pharmaceutical Sciences, Daniel K. Inouye College of Pharmacy, University of Hawaii at Hilo, 200 West Kawili Street, Hilo, Hawaii 96720, United States.; Cancer Biology Program, University of Hawaii Cancer Center, 701 Ilalo Street, Honolulu, Hawaii 96813, United States.
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Źródło:
The Journal of organic chemistry [J Org Chem] 2022 Dec 16; Vol. 87 (24), pp. 16847-16850. Date of Electronic Publication: 2022 Dec 07.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms:
Models, Molecular*
Crystallography, X-Ray ; Magnetic Resonance Spectroscopy/methods
Czasopismo naukowe
Tytuł:
Synthesis, prototropic tautomerism studies of indenocarbothioamides and their conversion to biologically active indenothiazole derivatives.
Autorzy:
Rana J; Department of Chemistry, Sant Longowal Institute of Engineering & Technology, Longowal (Sangrur), Punjab 148106, India.
Chaudhary RP; Department of Chemistry, Sant Longowal Institute of Engineering & Technology, Longowal (Sangrur), Punjab 148106, India. Electronic address: .
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Źródło:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2022 Aug 05; Vol. 276, pp. 121194. Date of Electronic Publication: 2022 Mar 26.
Typ publikacji:
Journal Article
MeSH Terms:
Models, Molecular*
Magnetic Resonance Spectroscopy ; X-Ray Diffraction
Czasopismo naukowe
Tytuł:
Electrostatically-gated molecular rotors.
Autorzy:
Lin B; Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208, USA. .
Karki I; Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208, USA. .
Pellechia PJ; Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208, USA. .
Shimizu KD; Department of Chemistry and Biochemistry, University of South Carolina, Columbia, SC 29208, USA. .
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Źródło:
Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2022 May 12; Vol. 58 (39), pp. 5869-5872. Date of Electronic Publication: 2022 May 12.
Typ publikacji:
Journal Article
MeSH Terms:
Models, Molecular*
Rotation
Czasopismo naukowe
Tytuł:
Correcting cis-trans-transgressions in macromolecular structure models.
Autorzy:
Waibl F; Department of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innsbruck, Austria.
Liedl KR; Department of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innsbruck, Austria.
Rupp B; k. -k.Hofkristallamt, San Diego, CA, USA.; Institute of Genetic Epidemiology, Medical University of Innsbruck, Innsbruck, Austria.
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Źródło:
The FEBS journal [FEBS J] 2022 May; Vol. 289 (10), pp. 2793-2804. Date of Electronic Publication: 2021 May 03.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Models, Molecular*
Isomerism ; Ligands ; Macromolecular Substances/chemistry ; Molecular Structure
Czasopismo naukowe
Tytuł:
Modeling the CRL4A ligase complex to predict target protein ubiquitination induced by cereblon-recruiting PROTACs.
Autorzy:
Bai N; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA. Electronic address: .
Riching KM; Research and Development Department, Promega Corporation, Madison, Wisconsin, USA. Electronic address: .
Makaju A; Discovery Attribute Science, Amgen Research, South San Francisco, California, USA.
Wu H; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA.
Acker TM; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA.
Ou SC; Discovery Attribute Science, Amgen Research, Thousand Oaks, California, USA.
Zhang Y; Oncology, Amgen Research, Thousand Oaks, California, USA.
Shen X; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA.
Bulloch DN; Discovery Attribute Science, Amgen Research, South San Francisco, California, USA.
Rui H; Discovery Attribute Science, Amgen Research, Thousand Oaks, California, USA.
Gibson BW; Discovery Attribute Science, Amgen Research, South San Francisco, California, USA.
Daniels DL; Research and Development Department, Promega Corporation, Madison, Wisconsin, USA.
Urh M; Research and Development Department, Promega Corporation, Madison, Wisconsin, USA.
Rock BM; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA.
Humphreys SC; Pharmacokinetics and Drug Metabolism, Amgen Research, South San Francisco, California, USA. Electronic address: .
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Źródło:
The Journal of biological chemistry [J Biol Chem] 2022 Apr; Vol. 298 (4), pp. 101653. Date of Electronic Publication: 2022 Jan 29.
Typ publikacji:
Journal Article
MeSH Terms:
Models, Molecular*
Ubiquitin-Protein Ligases*/chemistry
Ubiquitin-Protein Ligases*/metabolism
Ubiquitination*
HEK293 Cells ; Humans ; Protein Structure, Tertiary ; Proteolysis ; Ubiquitin/metabolism
Czasopismo naukowe
Tytuł:
Structural and biochemical characterization of the prenylated flavin mononucleotide-dependent indole-3-carboxylic acid decarboxylase.
Autorzy:
Gahloth D; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK.
Fisher K; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK.
Payne KAP; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK.
Cliff M; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK.
Levy C; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK.
Leys D; Manchester Institute of Biotechnology, University of Manchester, Manchester, UK. Electronic address: .
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Źródło:
The Journal of biological chemistry [J Biol Chem] 2022 Apr; Vol. 298 (4), pp. 101771. Date of Electronic Publication: 2022 Feb 24.
Typ publikacji:
Journal Article
MeSH Terms:
Carboxy-Lyases*/chemistry
Carboxy-Lyases*/metabolism
Models, Molecular*
Flavin Mononucleotide/metabolism ; Protein Structure, Tertiary ; Structure-Activity Relationship ; Substrate Specificity
Czasopismo naukowe
Tytuł:
Structural mass spectrometry decodes domain interaction and dynamics of the full-length Human Histone Deacetylase 2.
Autorzy:
Soloviev Z; Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6AR, UK. Electronic address: .
Bullock JMA; Institute of Structural and Molecular Biology, Birkbeck College, University of London, London WC1E 7HX, UK.
James JMB; Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6AR, UK.
Sauerwein AC; Institute of Structural and Molecular Biology, Birkbeck College, University of London, London WC1E 7HX, UK.
Nettleship JE; PPUK, Research Complex at Harwell, Rutherford Appleton Laboratory, Oxford OX11 0FA, UK; Division of Structural Biology, University of Oxford, The Wellcome Centre for Human Genetics, Headington, Oxford, UK.
Owens RJ; PPUK, Research Complex at Harwell, Rutherford Appleton Laboratory, Oxford OX11 0FA, UK; Division of Structural Biology, University of Oxford, The Wellcome Centre for Human Genetics, Headington, Oxford, UK.
Hansen DF; Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6AR, UK.
Topf M; Institute of Structural and Molecular Biology, Birkbeck College, University of London, London WC1E 7HX, UK; Centre for Structural Systems Biology, Heinrich-Pette-Institut, Leibniz-Institut für Experimentelle Virologie, Hamburg, Germany.
Thalassinos K; Institute of Structural and Molecular Biology, Division of Biosciences, University College London, London WC1E 6AR, UK. Electronic address: .
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Źródło:
Biochimica et biophysica acta. Proteins and proteomics [Biochim Biophys Acta Proteins Proteom] 2022 Mar 01; Vol. 1870 (3), pp. 140759. Date of Electronic Publication: 2022 Jan 18.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Models, Molecular*
Histone Deacetylase 2/*chemistry
Mass Spectrometry/*methods
Catalytic Domain ; Cross-Linking Reagents/chemistry ; Histone Deacetylase 2/metabolism ; Humans ; Intrinsically Disordered Proteins/chemistry ; Intrinsically Disordered Proteins/metabolism ; Ion Mobility Spectrometry/methods ; Molecular Structure
Czasopismo naukowe
Tytuł:
Improvement of thermostability of cholesterol oxidase from streptomyces Sp. SA-COO by random mutagenesis.
Autorzy:
Fazaeli A; Department of Clinical Biochemistry, School of Medicine, Ardabil University of Medical Sciences, Ardabil, Iran.
Fana SE; Department of Clinical Biochemistry, School of Medicine, Tehran University of Medical Sciences, Tehran, Iran; Student Scientific Research Center, Tehran University of Medical Sciences, Tehran, Iran.
Golestani A; Department of Clinical Biochemistry, School of Medicine, Tehran University of Medical Sciences, Tehran, Iran.
Aminian M; Department of Clinical Biochemistry, School of Medicine, Tehran University of Medical Sciences, Tehran, Iran. Electronic address: .
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Źródło:
Protein expression and purification [Protein Expr Purif] 2022 Mar; Vol. 191, pp. 106028. Date of Electronic Publication: 2021 Dec 01.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Amino Acid Substitution*
Bacterial Proteins*/chemistry
Bacterial Proteins*/genetics
Cholesterol Oxidase*/chemistry
Cholesterol Oxidase*/genetics
Models, Molecular*
Mutagenesis*
Streptomyces*/enzymology
Streptomyces*/genetics
Enzyme Stability/genetics
Czasopismo naukowe
Tytuł:
Many-body analysis and spectroscopic characterization of diazene oligomers: A theoretical study.
Autorzy:
Kaluva S; Department of Physics, School of Science, GITAM (Deemed to be University), Hyderabad 502329, TS, India.
Karri VL; Department of Physics, School of Science, GITAM (Deemed to be University), Hyderabad 502329, TS, India.
Kharat B; Department of Physics, Swami Vivekanand Senior College, Mantha 431504, MH, India.
Naganathappa M; Department of Physics, School of Science, GITAM (Deemed to be University), Hyderabad 502329, TS, India. Electronic address: .
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Źródło:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2023 Feb 15; Vol. 287 (Pt 1), pp. 121957. Date of Electronic Publication: 2022 Nov 01.
Typ publikacji:
Journal Article
MeSH Terms:
Quantum Theory*
Spectrum Analysis, Raman*
Spectroscopy, Fourier Transform Infrared ; Models, Molecular ; Vibration ; Spectrophotometry, Ultraviolet ; Solvents ; Water ; Thermodynamics
Czasopismo naukowe
Tytuł:
A series of phenanthroline-imine compounds: Computational, OLED properties and fluorimetric sensing of nitroaromatic compounds.
Autorzy:
Kose A; Department of Property Protection and Safety, Elbistan Vocational School, Istiklal University, Kahramanmaras, Turkey. Electronic address: .
Erkan S; Chemistry Department, Cumhuriyet University, Sivas 58140, Turkey.
Tümer M; Chemistry Department, Kahramanmaras Sutcu Imam University, Kahramanmaras, Turkey.
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Źródło:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2023 Feb 05; Vol. 286, pp. 122006. Date of Electronic Publication: 2022 Oct 19.
Typ publikacji:
Journal Article
MeSH Terms:
Phenanthrolines*
Imines*
Molecular Conformation ; Spectroscopy, Fourier Transform Infrared ; Models, Molecular ; Static Electricity
Czasopismo naukowe
Tytuł:
Insights from computational analysis: Excited-state hydrogen-bonding interactions and ESIPT processes in phenothiazine derivatives.
Autorzy:
Zhao G; School of Physics, Liaoning University, Shenyang 110036, PR China.
Shi W; School of Physics, Liaoning University, Shenyang 110036, PR China.
Xin X; School of Physics, Liaoning University, Shenyang 110036, PR China.
Yang Y; Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, PR China.
Ma F; School of Physics, Liaoning University, Shenyang 110036, PR China. Electronic address: .
Li Y; School of Physics, Liaoning University, Shenyang 110036, PR China. Electronic address: .
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Źródło:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2023 Feb 05; Vol. 286, pp. 121935. Date of Electronic Publication: 2022 Sep 29.
Typ publikacji:
Journal Article
MeSH Terms:
Protons*
Heterocyclic Compounds*
Hydrogen Bonding ; Quantum Theory ; Models, Molecular ; Phenothiazines
Czasopismo naukowe
Tytuł:
Cyclic cystine knot and its strong implication on the structure and dynamics of cyclotides.
Autorzy:
Venkatesan J; Department of Chemistry, Birla Institute of Technology and Science-Pilani Hyderabad Campus, Hyderabad, Telangana, India.
Roy D; Department of Chemistry, Birla Institute of Technology and Science-Pilani Hyderabad Campus, Hyderabad, Telangana, India.
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Źródło:
Proteins [Proteins] 2023 Feb; Vol. 91 (2), pp. 256-267. Date of Electronic Publication: 2022 Sep 27.
Typ publikacji:
Journal Article
MeSH Terms:
Cyclotides*/chemistry
Cystine/chemistry ; Amino Acid Sequence ; Models, Molecular
Czasopismo naukowe
Tytuł:
Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure.
Autorzy:
Egorov VV; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation; Institute of Experimental Medicine, Academika Pavlova, 12, 197376 St. Petersburg, Russian Federation. Electronic address: .
Shvetsov AV; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation; Peter the Great St.Petersburg Polytechnic University, Politehnicheskaya 29, St. Petersburg, Russian Federation.
Pichkur EB; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation.
Shaldzhyan AA; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Zabrodskaya YA; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation; Peter the Great St.Petersburg Polytechnic University, Politehnicheskaya 29, St. Petersburg, Russian Federation.
Vinogradova DS; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation.
Nekrasov PA; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Gorshkov AN; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Garmay YP; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation.
Kovaleva AA; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Stepanova LA; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Tsybalova LM; Smorodintsev Research Institute of Influenza, Russian Ministry of Health, 197376, Prof. Popov St. 15/17, St. Petersburg, Russian Federation.
Shtam TA; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation.
Myasnikov AG; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation.
Konevega AL; Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre «Kurchatov Institute», Orlova roscha 1, Gatchina 188300, Russian Federation; National Research Center 'Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russian Federation; Peter the Great St.Petersburg Polytechnic University, Politehnicheskaya 29, St. Petersburg, Russian Federation.
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Źródło:
Biophysical chemistry [Biophys Chem] 2023 Feb; Vol. 293, pp. 106943. Date of Electronic Publication: 2022 Dec 05.
Typ publikacji:
Journal Article
MeSH Terms:
Hepatitis B Core Antigens*/chemistry
Viral Matrix Proteins*/chemistry
Cryoelectron Microscopy ; Hepatitis B virus/chemistry ; Models, Molecular
Czasopismo naukowe
Tytuł:
Design, synthesis and Molecular modeling study of certain EGFRinhibitors with a quinazolinone scaffold as anti-hepatocellular carcinoma and Radio-sensitizers.
Autorzy:
Ghorab WM; Department of Drug Radiation Research, National Centre for Radiation Research and Technology (NCRRT), Egyptian Atomic Energy Authority (EAEA), Cairo 11765, Egypt.
El-Sebaey SA; Department of Pharmaceutical organic Chemistry, Faculty of Pharmacy (Girls), Al-Azhar University, Youssef Abbas Street, Nasr City, Cairo, Egypt.
Ghorab MM; Department of Drug Radiation Research, National Centre for Radiation Research and Technology (NCRRT), Egyptian Atomic Energy Authority (EAEA), Cairo 11765, Egypt. Electronic address: .
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Źródło:
Bioorganic chemistry [Bioorg Chem] 2023 Feb; Vol. 131, pp. 106310. Date of Electronic Publication: 2022 Dec 05.
Typ publikacji:
Journal Article
MeSH Terms:
Antineoplastic Agents*/pharmacology
Carcinoma*
Humans ; Quinazolinones/pharmacology ; Molecular Docking Simulation ; ErbB Receptors ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship ; Drug Screening Assays, Antitumor ; Cell Proliferation ; Cell Line, Tumor
Czasopismo naukowe
Tytuł:
Quantum chemical, spectroscopic and molecular docking investigations of potential pulmonary fibrosis drug methyl 2-chloro 4-iodonicotinate.
Autorzy:
Pandimeena G; P.G. & Research Department of Physics, N.M.S.S.V.N. College, Madurai, India.
Mathavan T; P.G. & Research Department of Physics, N.M.S.S.V.N. College, Madurai, India.
Samuel EJJ; Department of Physics, School of Advanced Sciences, Vellore Institute of Technology (VIT) university, Vellore, India.
Milton Franklin Benial A; P.G. & Research Department of Physics, N.M.S.S.V.N. College, Madurai, India.
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Źródło:
Journal of molecular recognition : JMR [J Mol Recognit] 2023 Feb; Vol. 36 (2), pp. e3001. Date of Electronic Publication: 2022 Nov 17.
Typ publikacji:
Journal Article
MeSH Terms:
Spectrum Analysis, Raman*
Pulmonary Fibrosis*
Humans ; Molecular Docking Simulation ; Models, Molecular ; Spectroscopy, Fourier Transform Infrared ; Spectrophotometry, Ultraviolet ; Quantum Theory ; Static Electricity ; Pharmaceutical Preparations
Czasopismo naukowe
Tytuł:
Cage-size effects on the encapsulation of P 2 by fullerenes.
Autorzy:
Sabater E; Department of Chemistry, Faculty of Natural Sciences and Technology, Saarland University, Saarbrücken, Germany.; Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona.
Solà M; Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona.
Salvador P; Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Girona.
Andrada DM; Department of Chemistry, Faculty of Natural Sciences and Technology, Saarland University, Saarbrücken, Germany.
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Źródło:
Journal of computational chemistry [J Comput Chem] 2023 Jan 30; Vol. 44 (3), pp. 268-277. Date of Electronic Publication: 2022 May 12.
Typ publikacji:
Journal Article
MeSH Terms:
Fullerenes*/chemistry
Models, Molecular ; Thermodynamics
Czasopismo naukowe
Tytuł:
Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III).
Autorzy:
Raßpe-Lange L; Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany.
Hoffmann A; Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany.
Gertig C; Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany.; Pharmaplan AG, Basel, Switzerland.
Heck J; Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany.
Leonhard K; Institute of Technical Thermodynamics, RWTH Aachen University, Aachen, Germany.
Herres-Pawlis S; Institute of Inorganic Chemistry, RWTH Aachen University, Aachen, Germany.
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Źródło:
Journal of computational chemistry [J Comput Chem] 2023 Jan 30; Vol. 44 (3), pp. 319-328. Date of Electronic Publication: 2022 May 31.
Typ publikacji:
Journal Article
MeSH Terms:
Copper*/chemistry
Quinolines*/chemistry
Guanidine/chemistry ; Models, Molecular ; Benchmarking ; Electron Transport
Czasopismo naukowe
Tytuł:
Intermolecular interactions between the heavy-atom analogues of acetylene T 2 H 2 (T = Si, Ge, Sn, Pb) and HCN.
Autorzy:
Chen Y; School of Chemistry & Environmental Science, Qujing Normal University, Qujing, 655011, Yunnan, China. .
Yao L; School of Chemistry & Environmental Science, Qujing Normal University, Qujing, 655011, Yunnan, China.
Wang F; School of Chemistry & Environmental Science, Qujing Normal University, Qujing, 655011, Yunnan, China.
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Źródło:
Journal of molecular modeling [J Mol Model] 2023 Jan 23; Vol. 29 (2), pp. 52. Date of Electronic Publication: 2023 Jan 23.
Typ publikacji:
Journal Article
MeSH Terms:
Lead*
Acetylene*
Models, Molecular ; Hydrogen ; Thermodynamics
Czasopismo naukowe

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