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1دورية أكاديمية
المؤلفون: Rodrigo Torres, Robert V Swift, Nicholas Chim, Nicole Wheatley, Benson Lan, Brian R Atwood, Céline Pujol, Banu Sankaran, James B Bliska, Rommie E Amaro, Celia W Goulding
المصدر: PLoS ONE, Vol 6, Iss 9, p e25084 (2011)
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Jacob D Durrant, Laurence Hall, Robert V Swift, Melissa Landon, Achim Schnaufer, Rommie E Amaro
المصدر: PLoS Neglected Tropical Diseases, Vol 4, Iss 8, p e803 (2010)
مصطلحات موضوعية: Arctic medicine. Tropical medicine, RC955-962, Public aspects of medicine, RA1-1270
وصف الملف: electronic resource
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3دورية أكاديمية
المؤلفون: Rommie E Amaro, Robert V Swift, J Andrew McCammon
المصدر: PLoS Neglected Tropical Diseases, Vol 1, Iss 2, p e68 (2007)
مصطلحات موضوعية: Arctic medicine. Tropical medicine, RC955-962, Public aspects of medicine, RA1-1270
وصف الملف: electronic resource
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4
المؤلفون: Robert V. Swift, Rommie E. Amaro, Tavina L. Offutt
المصدر: Journal of Chemical Information and Modeling. 56:1923-1935
مصطلحات موضوعية: 0301 basic medicine, Protein Conformation, General Chemical Engineering, In silico, Computational biology, Molecular Dynamics Simulation, Library and Information Sciences, Ligands, Article, 03 medical and health sciences, Molecular dynamics, Computational chemistry, Drug Discovery, Humans, Virtual screening, Drug discovery, Kinase, Chemistry, General Chemistry, Computer Science Applications, Molecular Docking Simulation, 030104 developmental biology, Protein drug, Decoy, Protein Kinases, Protein Binding
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5
المؤلفون: Rommie E. Amaro, Siti Azma Jusoh, Robert V. Swift, Eric S. Li, Tavina L. Offutt
المصدر: Journal of Chemical Information and Modeling
مصطلحات موضوعية: 0301 basic medicine, Computer science, Protein Conformation, General Chemical Engineering, Drug Evaluation, Preclinical, Library and Information Sciences, Molecular Dynamics Simulation, computer.software_genre, Article, Machine Learning, 03 medical and health sciences, Molecular dynamics, User-Computer Interface, Protein structure, False positive paradox, Scaling, Virtual screening, Receiver operating characteristic, General Chemistry, Computer Science Applications, 030104 developmental biology, Docking (molecular), Data mining, Area under the roc curve, computer, Algorithm
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6
المؤلفون: Shuai Liu, Michael Chiu, Christopher Churas, Victoria A. Feher, Michael K. Gilson, Rommie E. Amaro, Jeffrey R. Wagner, Stephen K. Burley, Chenghua Shao, Robert V. Swift
المصدر: Structure (London, England : 1993), vol 27, iss 8
Structureمصطلحات موضوعية: community resource, Protein Conformation, Computer science, Crystal structure, Crystallography, X-Ray, Ligands, computer.software_genre, 01 natural sciences, Docking (dog), Resource (project management), Cyberinfrastructure, Continuous evaluation, Structural Biology, drug design data resource, 0303 health sciences, Crystallography, Drug discovery, 030302 biochemistry & molecular biology, Biological Sciences, 3. Good health, Molecular Docking Simulation, Community resource, Pose prediction, Patient Safety, D3R, Protein Binding, Specific protein, Biophysics, Bioengineering, Machine learning, pose prediction, Article, Unmet needs, RCSB PDB, Structure-Activity Relationship, 03 medical and health sciences, drug docking, Information and Computing Sciences, Molecular Biology, 030304 developmental biology, Binding Sites, Ligand, business.industry, Proteins, Computational Biology, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Workflow, Docking (molecular), Drug Design, Chemical Sciences, X-Ray, Generic health relevance, Artificial intelligence, business, computer, CELPP
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a48a5f96fe164c35d6b0e20187b71f91
https://doi.org/10.1016/j.str.2019.05.012 -
7
المؤلفون: Ilkay Altintas, Pek U Ieong, Rommie E. Amaro, Özlem Demir, Robert V. Swift, Daniel Crawl, Jesper Sørensen, Celia W. Wong, Robert D. Malmstrom, Jianwu Wang, Nadya Williams, Prasantha L. Vemu
المصدر: ICCS
مصطلحات موضوعية: Computer science, 010402 general chemistry, Computational resource, computer.software_genre, ligand parameterization, 01 natural sciences, molecular simulation, Article, 03 medical and health sciences, Molecular dynamics, Component (UML), Computer Aided Design, 030304 developmental biology, General Environmental Science, 0303 health sciences, Virtual screening, Drug discovery, Ligand, small molecule docking, Data science, 0104 chemical sciences, big data reduction, structural clustering, Workflow, web services, Scientific workflows, Computer-aided, General Earth and Planetary Sciences, relaxed complex scheme, Web service, computer
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8
المؤلفون: Rommie E. Amaro, Robert V. Swift
المصدر: Chemical Biology & Drug Design. 81:61-71
مصطلحات موضوعية: Pharmacology, Physics, Quantitative structure–activity relationship, Computational model, Physical model, Membrane permeability, Drug candidate, Organic Chemistry, Nanotechnology, medicine.disease, Biochemistry, Permeability (earth sciences), Solvent models, Drug Discovery, medicine, Molecular Medicine, Attrition, Biochemical engineering
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9
المؤلفون: Robert V. Swift, Rommie E. Amaro, Sara E. Nichols
المصدر: Current Topics in Medicinal Chemistry
مصطلحات موضوعية: drug design, Computer science, Drug Evaluation, Preclinical, Molecular Dynamics Simulation, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, Molecular Docking Simulation, Article, 03 medical and health sciences, Molecular dynamics, 0302 clinical medicine, Software, Prediction methods, structure-based prediction, Drug Discovery, Computational methods, Statistical analysis, Simulation, 030304 developmental biology, validation, 0303 health sciences, Binding Sites, business.industry, Drug discovery, Extramural, Computational Biology, Proteins, food and beverages, General Medicine, molecular dynamics, 0104 chemical sciences, flexibility, ROC Curve, 030220 oncology & carcinogenesis, Proteins metabolism, docking, Artificial intelligence, business, computer, statistical performance analysis
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::070389d746a1f57e41252265ae6bff45
https://doi.org/10.2174/156802612804910313 -
10
المؤلفون: Rommie E. Amaro, Robert V. Swift
المصدر: Journal of Computer-Aided Molecular Design
مصطلحات موضوعية: Models, Molecular, Cell Membrane Permeability, Membrane permeability, Implicit solvation, Molecular Conformation, Thermodynamics, 010402 general chemistry, Thermal diffusivity, 01 natural sciences, Implicit solvent, Models, Biological, Article, Small Molecule Libraries, 03 medical and health sciences, symbols.namesake, Computational chemistry, Drug Discovery, Molecular mechanics, Physical and Theoretical Chemistry, 030304 developmental biology, 0303 health sciences, Chemistry, Solvation, Water, Permeation, Passive membrane permeability, 0104 chemical sciences, Gibbs free energy, Computer Science Applications, Homogenous solubility model, Maxima and minima, Membrane, Solubility, symbols, MINTA