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1دورية أكاديمية
المؤلفون: Qi Chen, Michal Vieth, David E Timm, Christine Humblet, Dina Schneidman-Duhovny, Ilan E Chemmama, Andrej Sali, Wei Zeng, Jirong Lu, Ling Liu
المصدر: PLoS ONE, Vol 12, Iss 4, p e0175758 (2017)
وصف الملف: electronic resource
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المؤلفون: Christos A. Nicolaou, Christine Humblet, Hong Hu, Eva M. Martin, Frank C. Dorsey, Thomas M. Castle, Keith Ian Burton, Haitao Hu, Jorg Hendle, Michael J. Hickey, Joel Duerksen, Jibo Wang, Jon A. Erickson
المصدر: ACS Medicinal Chemistry Letters. 10:278-286
مصطلحات موضوعية: Virtual screening, Process (engineering), Computer science, Drug discovery, Organic Chemistry, Drug Discovery, Computational biology, Biochemistry, Throughput (business), Transferase inhibitor
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المؤلفون: Wei Zeng, Dina Schneidman-Duhovny, Qi Chen, Christine Humblet, Ilan E. Chemmama, David E. Timm, Jirong Lu, Michal Vieth, Ling Liu, Andrej Sali
المصدر: PLoS ONE, Vol 12, Iss 4, p e0175758 (2017)
PLoS ONEمصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Class (set theory), Protein Conformation, lcsh:Medicine, Rapidly exploring random tree, Crystallography, X-Ray, Biochemistry, Negative Staining, law.invention, Mice, Protein structure, law, Microscopy, Medicine and Health Sciences, Post-Translational Modification, Phosphorylation, Enzyme-Linked Immunoassays, lcsh:Science, Staining, Multidisciplinary, Crystallography, biology, Pharmaceutics, Physics, Sampling (statistics), Antibody Isotype Determination, Proto-Oncogene Proteins c-met, Condensed Matter Physics, Physical Sciences, Crystal Structure, Disulfide Bonds, Antibody, Biological system, Research Article, Imaging Techniques, Research and Analysis Methods, 03 medical and health sciences, Imaging, Three-Dimensional, Solid State Physics, Animals, Homology modeling, Immunoassays, lcsh:R, Biology and Life Sciences, Proteins, Microscopy, Electron, 030104 developmental biology, Specimen Preparation and Treatment, Structural Homology, Protein, Immunoglobulin G, biology.protein, Immunologic Techniques, lcsh:Q, Electron microscope, Drug Delivery
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المؤلفون: Christine Humblet, Natasja Brooijmans
المصدر: Chemical Biology & Drug Design. 76:472-479
مصطلحات موضوعية: Pharmacology, Virtual screening, business.industry, Organic Chemistry, Pattern recognition, Crystal structure, Bioinformatics, Biochemistry, Chemical space, Drug Discovery, False positive paradox, Molecular Medicine, Artificial intelligence, business, Mathematics
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المؤلفون: Dominick Mobilio, Jyoti Mankala, Gary Walker, Maneesh Tatipally, R. Aldrin Denny, Jason DeJoannis, Christine Humblet, Ramaswamy Nilakantan, Rupesh K. Kowticwar, Reji K. John, Eric Feyfant, Natasja Brooijmans, Satish Palli, Sairam Punyamantula
المصدر: Chemical Biology & Drug Design. 76:142-153
مصطلحات موضوعية: Pharmacology, Protein structure database, Protein family, Relational database, business.industry, Chemistry, Organic Chemistry, Computational biology, computer.file_format, Protein Data Bank, Biochemistry, Numbering, Crystallography, Protein structure, Knowledge base, Drug Discovery, Molecular Medicine, business, Structural motif, computer
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المؤلفون: Xiaohua Zhang, David J. Diller, Lance M. Westerhoff, Christine Humblet
المصدر: Proteins: Structure, Function, and Bioinformatics. 78:2329-2337
مصطلحات موضوعية: Models, Molecular, Surface Properties, Biochemistry, Article, Accessible surface area, Structural Biology, Computational chemistry, Linear scale, Statistical physics, Potential of mean force, Databases, Protein, Protein Structure, Quaternary, Molecular Biology, Quantum, Alanine, Chemistry, Computational Biology, Proteins, Water, Alanine scanning, Data set, Outlier, Quantum Theory, Mutant Proteins, Protein Binding
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المؤلفون: Natasja Brooijmans, Christine Humblet
المصدر: Journal of Computer-Aided Molecular Design. 24:433-447
مصطلحات موضوعية: Models, Molecular, Computer science, Drug Evaluation, Preclinical, Crystallography, X-Ray, Ligands, Machine learning, computer.software_genre, Phosphatidylinositol 3-Kinases, User-Computer Interface, Catalytic Domain, Drug Discovery, Class Ib Phosphatidylinositol 3-Kinase, Computer Simulation, Enzyme Inhibitors, Physical and Theoretical Chemistry, Simulation, Phosphoinositide-3 Kinase Inhibitors, Virtual screening, business.industry, Drug discovery, Scoring methods, Chemical space, Computer Science Applications, Isoenzymes, Docking (molecular), Drug Design, Chemical diversity, Artificial intelligence, business, computer, Algorithms, Software
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المؤلفون: Natasja Brooijmans, Dominick Mobilio, Yu-Wei Wayne Chang, Rajiah A. Denny, Christine Humblet
المصدر: Protein Science. 19:763-774
مصطلحات موضوعية: Database, Drug discovery, computer.file_format, Biology, Protein Data Bank, computer.software_genre, Biochemistry, Protein structure, Numbering scheme, Protein kinase domain, Protein folding, Kinome, Binding site, Molecular Biology, computer
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المؤلفون: Brajesh K. Rai, Christine Humblet, Alan H. Katz, Gregory J. Tawa
المصدر: Proteins: Structure, Function, and Bioinformatics. 78:457-473
مصطلحات موضوعية: Virtual screening, Drug discovery, In silico, Computational biology, Biology, Ligand (biochemistry), Biochemistry, Combinatorial chemistry, Structural Biology, Docking (molecular), Homology modeling, Molecular Biology, Integral membrane protein, G protein-coupled receptor
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المؤلفون: R. Aldrin Denny, Ramaswamy Nilakantan, Diane Joseph-McCarthy, Eric Feyfant, Christine Humblet, David C. Thompson
المصدر: Journal of Computer-Aided Molecular Design. 22:761-772
مصطلحات موضوعية: Models, Molecular, Binding Sites, Databases, Factual, Molecular Structure, Receptors, Retinoic Acid, Stereochemistry, Computer science, Molecular Conformation, Proteins, Receptors, Cell Surface, Computational biology, Ligands, Computer Science Applications, Docking (molecular), Drug Design, Drug Discovery, Humans, Protein Isoforms, Molecule, Streptavidin, Physical and Theoretical Chemistry, Receptor, Target binding, Algorithms, Protein Binding
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