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المؤلفون: Avid M. Afzal, Ian P. Barrett, Samantha Jayne Hughes, Lyn Rosenbrier-Ribeiro, Danilo Basili, Kathryn A. Giblin, Andreas Bender, Nigel Greene
المصدر: Chemical Research in Toxicology. 34:438-451
مصطلحات موضوعية: Risk profiling, Drug, Databases, Factual, media_common.quotation_subject, MedDRA, Concordance, 010501 environmental sciences, Toxicology, Bioinformatics, 01 natural sciences, 03 medical and health sciences, Adverse Drug Reaction Reporting Systems, Animals, Humans, Medicine, Adverse effect, 030304 developmental biology, 0105 earth and related environmental sciences, Preclinical toxicity, media_common, 0303 health sciences, Molecular Structure, business.industry, Ovarian failure, Drug withdrawal syndrome, General Medicine, Pharmaceutical Preparations, Models, Animal, business
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المؤلفون: Christian Tyrchan, Robert Soliva, Martí Municoy, Oriol Gracia Carmona, Martin J. Packer, Daniel Soler, Joan Gilabert, Victor Guallar, Anders Hogner, Samantha Jayne Hughes, Christoph Grebner, Daniel Lecina
المصدر: Journal of Chemical Theory and Computation. 15:6243-6253
مصطلحات موضوعية: 010304 chemical physics, Markov chain, Computer science, Monte Carlo method, Proteins, Energy landscape, Sampling (statistics), Ligands, 01 natural sciences, Markov Chains, Computer Science Applications, Ranking, Drug Design, 0103 physical sciences, Convergence (routing), Computer-aided, Thermodynamics, Physical and Theoretical Chemistry, Monte Carlo Method, Algorithm, Algorithms, Monte Carlo algorithm, Protein Binding
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المؤلفون: Francesco Luigi Gervasio, Richard A. Ward, Shozeb Haider, Samantha Jayne Hughes, Luca Carlino, Ioannis Galdadas
المصدر: eLife, Vol 10 (2021)
eLifeمصطلحات موضوعية: 0301 basic medicine, Lung Neoplasms, QH301-705.5, In silico, Systems biology, Science, Molecular Dynamics Simulation, General Biochemistry, Genetics and Molecular Biology, 03 medical and health sciences, Molecular dynamics, Exon, 0302 clinical medicine, Carcinoma, Non-Small-Cell Lung, None, Humans, Epidermal growth factor receptor, human, Biology (General), Receptor, Cancer Biology, computational, General Immunology and Microbiology, biology, Chemistry, Kinase, General Neuroscience, General Medicine, mutations, molecular dynamics, Cell biology, ErbB Receptors, 030104 developmental biology, Protein kinase domain, in silico, 030220 oncology & carcinogenesis, Mutation, biology.protein, Intercellular Signaling Peptides and Proteins, Medicine, simulations, Protein Binding, Research Article, Computational and Systems Biology
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المؤلفون: Luca Carlino, Richard A. Ward, Francesco Luigi Gervasio, Samantha Jayne Hughes, Shozeb Haider, Ioannis Galdadas
مصطلحات موضوعية: Basis (linear algebra), Chemistry, Receptor, Cell biology
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المؤلفون: Haixia Wang, Stefan Kavanagh, Radoslaw Polanski, Eric Gangl, Michael J. Tucker, Jason Breed, Thomas Anthony Hunt, Paul R. J. Davey, Mandy Lawson, Darren Stead, Oona Delpuech, Ye Wu, J. Willem M. Nissink, Barlaam Bernard Christophe, Dedong Wu, Sudhir M. Hande, Amber Balazs, Dermot F. McGinnity, Wenzhan Yang, Thomas A. Moss, Bin Yang, Sladjana Gagrica, Kumar Thakur, Stacey Marden, Tyler Grebe, Daniel Hillebrand O'donovan, Teresa Klinowska, Samantha Jayne Hughes, Kara Herlihy, David I Fisher, Stephen Stokes, Holia Hatoum-Mokdad, Tony Johnson, James S. Scott, Elisabetta Chiarparin, Bo Peng, Sophie L. M. Janbon, Scott Throner, Ryan Greenwood, David Matthew Wilson, Andrew Lister, Stephen Fawell, Hoan Huynh, Jeffrey G. Varnes, Christopher J. Morrow, Rodrigo J. Carbajo
المصدر: Journal of medicinal chemistry. 63(23)
مصطلحات موضوعية: Selective Estrogen Receptor Modulators, Estrogen receptor, Administration, Oral, Biological Availability, Antineoplastic Agents, Breast Neoplasms, Pharmacology, Crystallography, X-Ray, 01 natural sciences, 03 medical and health sciences, Structure-Activity Relationship, In vivo, Oral administration, Cell Line, Tumor, Drug Discovery, medicine, Structure–activity relationship, Humans, 030304 developmental biology, Cell Proliferation, 0303 health sciences, Fulvestrant, Molecular Structure, Chemistry, Drug discovery, Antagonist, Lipids, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Cyclization, Lipophilicity, Molecular Medicine, Female, medicine.drug
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المؤلفون: Kevin James Doyle, Amanda Van de Poël, Helena Käck, Samantha Jayne Hughes, Hans Lönn, Nicholas John Palmer, Michael S. Bodnarchuk
المصدر: ACS Med Chem Lett
مصطلحات موضوعية: chemistry.chemical_compound, chemistry, Nitrile, Stereochemistry, Organic Chemistry, Drug Discovery, Potency, Biochemistry, Pyrrolidine
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المساهمون: Giblin, Kathryn A [0000-0003-2446-6326], Bender, Andreas [0000-0002-6683-7546], Apollo - University of Cambridge Repository
مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Protein Conformation, General Chemical Engineering, Quantitative Structure-Activity Relationship, Plasma protein binding, Library and Information Sciences, 01 natural sciences, 03 medical and health sciences, Protein structure, Drug Discovery, Humans, Computer Simulation, Epigenetics, Binding site, Nuclear protein, Binding Sites, Drug discovery, Chemistry, Nuclear Proteins, Reproducibility of Results, General Chemistry, 0104 chemical sciences, Computer Science Applications, Bromodomain, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Biochemistry, Models, Chemical, Small molecule binding, Protein Binding
وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document
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المؤلفون: Thomas A. Moss, Eric Gangl, Jason Breed, Jeffrey G. Varnes, Radoslaw Polanski, James S. Scott, Christopher J. Morrow, Barlaam Bernard Christophe, Daniel Hillebrand O'donovan, Willem M. Nissink, Rodrigo J. Carbajo, Samantha Jayne Hughes, Bin Yang
المصدر: Molecular Cancer Therapeutics. 18:A107-A107
مصطلحات موضوعية: Indole test, Cancer Research, Fulvestrant, biology, medicine.drug_class, Chemistry, Estrogen receptor, Small molecule, Oncology, Estrogen, medicine, biology.protein, Cancer research, Aromatase, Estrogen receptor alpha, Tamoxifen, medicine.drug