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Wyświetlanie 1-20 z 101408
Tytuł:
NanoBERTa-ASP: predicting nanobody paratope based on a pretrained RoBERTa model.
Autorzy:
Li S; College of Big Data and Internet, Shenzhen Technology University, Shenzhen, China.
Meng X; College of Big Data and Internet, Shenzhen Technology University, Shenzhen, China.
Li R; College of Big Data and Internet, Shenzhen Technology University, Shenzhen, China.
Huang B; College of Big Data and Internet, Shenzhen Technology University, Shenzhen, China. .
Wang X; College of Big Data and Internet, Shenzhen Technology University, Shenzhen, China. .
Źródło:
BMC bioinformatics [BMC Bioinformatics] 2024 Mar 21; Vol. 25 (1), pp. 122. Date of Electronic Publication: 2024 Mar 21.
Typ publikacji:
Journal Article
MeSH Terms:
Single-Domain Antibodies*/chemistry
Binding Sites, Antibody ; Antibodies ; Binding Sites ; Antibody Specificity
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Nitrophenylpiperazine derivatives as novel tyrosinase inhibitors: design, synthesis, and in silico evaluations.
Autorzy:
Asadi, Mehdi (AUTHOR)
Fayazi, Fahime (AUTHOR)
Iraji, Aida (AUTHOR)
Sabourian, Reyhaneh (AUTHOR)
Azizian, Homa (AUTHOR)
Hajimahmoodi, Mannan (AUTHOR)
Larijani, Bagher (AUTHOR)
Mahdavi, Mohammad (AUTHOR)
Amanlou, Massoud (AUTHOR)
Źródło:
BMC Chemistry. 4/5/2024, Vol. 18 Issue 1, p1-12. 12p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
VirtuousPocketome: a computational tool for screening protein–ligand complexes to identify similar binding sites.
Autorzy:
Pallante, Lorenzo (AUTHOR)
Cannariato, Marco (AUTHOR)
Androutsos, Lampros (AUTHOR)
Zizzi, Eric A. (AUTHOR)
Bompotas, Agorakis (AUTHOR)
Hada, Xhesika (AUTHOR)
Grasso, Gianvito (AUTHOR)
Kalogeras, Athanasios (AUTHOR)
Mavroudi, Seferina (AUTHOR)
Di Benedetto, Giacomo (AUTHOR)
Theofilatos, Konstantinos (AUTHOR)
Deriu, Marco A. (AUTHOR)
Źródło:
Scientific Reports. 3/15/2024, Vol. 14 Issue 1, p1-14. 14p.
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
De novo design of drug-binding proteins with predictable binding energy and specificity.
Autorzy:
Lu L; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Gou X; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, CA 94158, USA.
Tan SK; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Mann SI; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.; Department of Chemistry, University of California, Riverside, CA 92521, USA.
Yang H; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Zhong X; Department of Cellular and Molecular Pharmacology, University of California, San Francisco, CA 94158, USA.
Gazgalis D; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA 02215, USA.; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA 02215, USA.
Valdiviezo J; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA 02215, USA.; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA 02215, USA.
Jo H; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Wu Y; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Diolaiti ME; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, CA 94158, USA.
Ashworth A; Helen Diller Family Comprehensive Cancer Center, University of California, San Francisco, CA 94158, USA.
Polizzi NF; Department of Cancer Biology, Dana-Farber Cancer Institute, Boston, MA 02215, USA.; Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, MA 02215, USA.
DeGrado WF; Department of Pharmaceutical Chemistry & Cardiovascular Research Institute, University of California, San Francisco, CA 94158, USA.
Źródło:
Science (New York, N.Y.) [Science] 2024 Apr 05; Vol. 384 (6691), pp. 106-112. Date of Electronic Publication: 2024 Apr 04.
Typ publikacji:
Journal Article
MeSH Terms:
Drug Design*/methods
Poly(ADP-ribose) Polymerase Inhibitors*/chemistry
Poly(ADP-ribose) Polymerase Inhibitors*/pharmacology
Proteins*/chemistry
Binding Sites ; Ligands ; Molecular Dynamics Simulation ; Protein Binding ; Humans
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
The rise of big data: deep sequencing-driven computational methods are transforming the landscape of synthetic antibody design.
Autorzy:
Gallo E; Department of Medicinal Chemistry, Avance Biologicals, 950 Dupont Street, Toronto, ON, M6H 1Z2, Canada. .; Department of Protein Engineering, RevivAb, Av. Ipiranga, 6681, Partenon, Porto Alegre, RS, 90619-900, Brazil. .
Źródło:
Journal of biomedical science [J Biomed Sci] 2024 Mar 16; Vol. 31 (1), pp. 29. Date of Electronic Publication: 2024 Mar 16.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Genomics*
High-Throughput Nucleotide Sequencing*
Binding Sites, Antibody
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras.
Autorzy:
Majrashi TA; Department of Pharmacognosy, College of Pharmacy, King Khalid University, Asir, Saudi Arabia.
Sabt A; Chemistry of Natural Compounds Department, Pharmaceutical and Drug Industries Research Institute, National Research Centre, Dokki, Cairo, Egypt.
Almahli H; Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.
El Hassab MA; Faculty of Pharmacy, Department of Medicinal Chemistry, King Salman International University (KSIU), South Sinai, Egypt.
Noamaan MA; Faculty of Science, Mathematics Department, Cairo University, Giza, Egypt.
Elkaeed EB; Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Ad Diriyah, Riyadh, Saudi Arabia.
Hamissa MF; Medicinal and Pharmaceutical Chemistry Department, Pharmaceutical and Drug Industries Research Division, National Research Centre, Dokki, Giza, Egypt.; Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic.
Maslamani AN; Faculty of Medicine, Cairo University, Cairo, Egypt.
Shaldam MA; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Kafrelsheikh University, Kafrelsheikh, Egypt.
Eldehna WM; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Kafrelsheikh University, Kafrelsheikh, Egypt.
Źródło:
PloS one [PLoS One] 2024 Mar 08; Vol. 19 (3), pp. e0300035. Date of Electronic Publication: 2024 Mar 08 (Print Publication: 2024).
Typ publikacji:
Journal Article
MeSH Terms:
Proto-Oncogene Proteins p21(ras)*/genetics
Molecular Dynamics Simulation*
Molecular Docking Simulation ; Binding Sites ; Catalytic Domain
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Structures, Mechanisms, and Physiological Functions of Zinc Transporters in Different Biological Kingdoms.
Autorzy:
Bui HB; Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan.; Department of Molecular and Chemical Life Sciences, Graduate School of Life Sciences, Tohoku University, Sendai 980-8577, Japan.; Medical Institute of Bioregulation, Kyushu University, Fukuoka 812-8582, Japan.
Inaba K; Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan.; Department of Molecular and Chemical Life Sciences, Graduate School of Life Sciences, Tohoku University, Sendai 980-8577, Japan.; Medical Institute of Bioregulation, Kyushu University, Fukuoka 812-8582, Japan.; Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.; Core Research for Evolutional Science and Technology (CREST), Japan Agency for Medical Research and Development (AMED), Chiyoda-ku, Tokyo 100-0004, Japan.
Źródło:
International journal of molecular sciences [Int J Mol Sci] 2024 Mar 06; Vol. 25 (5). Date of Electronic Publication: 2024 Mar 06.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Cation Transport Proteins*/metabolism
Carrier Proteins*
Humans ; Homeostasis/physiology ; Binding Sites ; Zinc/metabolism
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Modulation of potassium channels by transmembrane auxiliary subunits via voltage-sensing domains.
Autorzy:
Nakajo K; Division of Integrative Physiology, Department of Physiology, Jichi Medical University, Shimotsuke, Japan.
Kasuya G; Division of Integrative Physiology, Department of Physiology, Jichi Medical University, Shimotsuke, Japan.
Źródło:
Physiological reports [Physiol Rep] 2024 Mar; Vol. 12 (6), pp. e15980.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Potassium Channels*
Ion Channels*
Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Comprehensive Data-Driven Assessment of Non-Kinase Targets of Inhibitors of the Human Kinome.
Autorzy:
Mobasher M; LIMES Program Unit Chemical Biology and Medicinal Chemistry, Department of Life Science Informatics and Data Science, B-IT, Lamarr Institute for Machine Learning and Artificial Intelligence, University of Bonn, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Vogt M; LIMES Program Unit Chemical Biology and Medicinal Chemistry, Department of Life Science Informatics and Data Science, B-IT, Lamarr Institute for Machine Learning and Artificial Intelligence, University of Bonn, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Xerxa E; LIMES Program Unit Chemical Biology and Medicinal Chemistry, Department of Life Science Informatics and Data Science, B-IT, Lamarr Institute for Machine Learning and Artificial Intelligence, University of Bonn, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Bajorath J; LIMES Program Unit Chemical Biology and Medicinal Chemistry, Department of Life Science Informatics and Data Science, B-IT, Lamarr Institute for Machine Learning and Artificial Intelligence, University of Bonn, Friedrich-Hirzebruch-Allee 5/6, 53115 Bonn, Germany.
Źródło:
Biomolecules [Biomolecules] 2024 Feb 21; Vol. 14 (3). Date of Electronic Publication: 2024 Feb 21.
Typ publikacji:
Journal Article
MeSH Terms:
Protein Kinases*/metabolism
Signal Transduction*
Humans ; Phosphorylation ; Binding Sites ; Pharmaceutical Preparations ; Protein Kinase Inhibitors/pharmacology ; Protein Kinase Inhibitors/chemistry
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Machine Learning Methods as a Cost-Effective Alternative to Physics-Based Binding Free Energy Calculations.
Autorzy:
Bansal N; Biotherapeutic and Medicinal Sciences, Biogen, 225 Binney Street, Cambridge, MA 02142, USA.
Wang Y; Biotherapeutic and Medicinal Sciences, Biogen, 225 Binney Street, Cambridge, MA 02142, USA.
Sciabola S; Biotherapeutic and Medicinal Sciences, Biogen, 225 Binney Street, Cambridge, MA 02142, USA.
Źródło:
Molecules (Basel, Switzerland) [Molecules] 2024 Feb 13; Vol. 29 (4). Date of Electronic Publication: 2024 Feb 13.
Typ publikacji:
Journal Article
MeSH Terms:
Proteins*/chemistry
Machine Learning*
Ligands ; Cost-Benefit Analysis ; Retrospective Studies ; Thermodynamics ; Protein Binding ; Physics ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Computational design and engineering of self-assembling multivalent microproteins with therapeutic potential against SARS-CoV-2.
Autorzy:
Qin Q; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Jiang X; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Huo L; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Qian J; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Yu H; ACROBiosystems Inc, Beijing, 100176, China.
Zhu H; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Du W; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China.
Cao Y; ACROBiosystems Inc, Beijing, 100176, China.
Zhang X; ACROBiosystems Inc, Beijing, 100176, China.
Huang Q; State Key Laboratory of Genetic Engineering, Shanghai Engineering Research Center of Industrial Microorganisms, MOE Engineering Research Center of Gene Technology, School of Life Sciences, Fudan University, Shanghai, 200438, China. .; Multiscale Research Institute of Complex Systems, Fudan University, Shanghai, 201203, China. .
Źródło:
Journal of nanobiotechnology [J Nanobiotechnology] 2024 Feb 10; Vol. 22 (1), pp. 58. Date of Electronic Publication: 2024 Feb 10.
Typ publikacji:
Journal Article
MeSH Terms:
COVID-19*
Humans ; Micropeptides ; SARS-CoV-2 ; Binding Sites ; Antibodies, Neutralizing ; Antibodies, Viral
SCR Organism:
SARS-CoV-2 variants
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
VSpipe-GUI, an Interactive Graphical User Interface for Virtual Screening and Hit Selection.
Autorzy:
Hussain R; School of Biological Sciences, Faculty of Biology Medicine and Health, University of Manchester, Manchester Academic Health Science Centre, Manchester M13 9PT, UK.
Hackett AS; School of Biological Sciences, Faculty of Biology Medicine and Health, University of Manchester, Manchester Academic Health Science Centre, Manchester M13 9PT, UK.
Álvarez-Carretero S; Bristol Palaeobiology Group, School of Earth Sciences, University of Bristol, Life Sciences Building, Tyndall Avenue, Bristol BS8 1TH, UK.
Tabernero L; School of Biological Sciences, Faculty of Biology Medicine and Health, University of Manchester, Manchester Academic Health Science Centre, Manchester M13 9PT, UK.
Źródło:
International journal of molecular sciences [Int J Mol Sci] 2024 Feb 07; Vol. 25 (4). Date of Electronic Publication: 2024 Feb 07.
Typ publikacji:
Journal Article
MeSH Terms:
Software*
Hepatitis C*
Humans ; Proteins/chemistry ; Binding Sites ; Hepacivirus ; Ligands ; User-Computer Interface ; Molecular Docking Simulation
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Tytuł:
Viper Venom Phospholipase A2 Database: The Structural and Functional Anatomy of a Primary Toxin in Envenomation.
Autorzy:
de Oliveira ALN; Requimte-Faculty of Sciences, University of Porto, Rua do Campo Alegre s/n, 4169-000 Porto, Portugal.
Lacerda MT; Requimte-Faculty of Sciences, University of Porto, Rua do Campo Alegre s/n, 4169-000 Porto, Portugal.
Ramos MJ; Requimte-Faculty of Sciences, University of Porto, Rua do Campo Alegre s/n, 4169-000 Porto, Portugal.
Fernandes PA; Requimte-Faculty of Sciences, University of Porto, Rua do Campo Alegre s/n, 4169-000 Porto, Portugal.
Źródło:
Toxins [Toxins (Basel)] 2024 Feb 01; Vol. 16 (2). Date of Electronic Publication: 2024 Feb 01.
Typ publikacji:
Journal Article
MeSH Terms:
Viper Venoms*/chemistry
Snake Bites*
Humans ; Phospholipases A2/chemistry ; Myotoxicity ; Binding Sites
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie Pełny tekstSzczegóły
Wyświetlanie 1-20 z 101408

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