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Journal of computational chemistry, ISSN 0192-8651, 07/2014, Volume 35, Issue 18, pp. 1371 - 1387
surface area | Generalized Born | energy decomposition | molecular mechanics | Protein design | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Thermodynamics | Protein Conformation | Proteins - chemistry | Computational Biology | Proteins | Decomposition | Matrix | Energy | Dielectric properties | Compounds | Surface area | Computation | Design modifications | Index Medicus | Life Sciences | Biochemistry, Molecular Biology
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Journal of chemical theory and computation, ISSN 1549-9618, 10/2017, Volume 13, Issue 10, pp. 4932 - 4943
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Proteins | Energy consumption | Sequences | Energy | Crystallography | Electrostatics | Redesign | Molecular chains | Life Sciences | Molecular biology | Cellular Biology | Quantitative Methods | Biochemistry, Molecular Biology | Cancer
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Journal of singing, ISSN 1086-7732, 01/2019, Volume 75, Issue 3, p. 367
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Proteins, structure, function, and bioinformatics, ISSN 0887-3585, 06/2016, Volume 84, Issue 6, pp. 803 - 819
surface area | Generalized Born | computational protein design | side chain placement | molecular mechanics | Molecular mechanics | Computational protein design | Side chain placement | Surface area | Biochemistry & Molecular Biology | Biophysics | Life Sciences & Biomedicine | Science & Technology | Thermodynamics | Animals | Databases, Protein | Humans | Amino Acids - chemistry | Models, Molecular | Protein Conformation | Proteins - chemistry | Static Electricity | Proteins | Analysis | Force and energy | Electric properties | Index Medicus | Life Sciences | Biochemistry, Molecular Biology
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Current pharmaceutical design, ISSN 1381-6128, 2013, Volume 19, Issue 23, pp. 4241 - 4256
Continuum electrostatics | Molecular dynamics | Free energy simulations | Linear response | Life Sciences & Biomedicine | Pharmacology & Pharmacy | Science & Technology | Aspartic Acid Proteases - chemistry | Protease Inhibitors - pharmacology | Catalytic Domain | Drug Design | Models, Molecular | Protease Inhibitors - chemistry | Ligands | Aspartic Acid Proteases - antagonists & inhibitors | Catalysis | Static Electricity | Aspartic Acid Proteases - metabolism
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Journal of chemical theory and computation, ISSN 1549-9618, 10/2013, Volume 9, Issue 10, pp. 4603 - 4608
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Protein pK^sub a^’s from Adaptive Landscape Flattening Instead of Constant-pH Simulations
Journal of chemical theory and computation, ISSN 1549-9618, 12/2018, Volume 14, Issue 12, p. 6714
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Journal of chemical theory and computation, ISSN 1549-9618, 12/2018, Volume 14, Issue 12, pp. 6714 - 6721
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The Journal of biological chemistry, ISSN 0021-9258, 04/2010, Volume 285, Issue 18, pp. 13807 - 13815
Life Sciences & Biomedicine | Biochemistry & Molecular Biology | Science & Technology | Protein Structure, Secondary | Protein-Tyrosine Kinases - metabolism | Humans | Models, Molecular | Neoplasms - enzymology | Piperazines - chemistry | Piperazines - therapeutic use | Imatinib Mesylate | Pyrimidines - chemistry | Neoplasms - drug therapy | Protein Kinase Inhibitors - chemistry | Animals | Protein Kinase Inhibitors - therapeutic use | Pyrimidines - therapeutic use | Chickens | Computer Simulation | Protein-Tyrosine Kinases - chemistry | Protein Binding | Benzamides | Protein-Tyrosine Kinases - antagonists & inhibitors | Index Medicus | Piperazines | Biochemistry, Molecular Biology | Neoplasms | Life Sciences | Pyrimidines | Protein Kinase Inhibitors | Protein-Tyrosine Kinases | Enzyme Inhibitors | Molecular Dynamics | Mathematical Modeling | Molecular Biophysics | Computer Modeling | Protein Drug Interactions | Computational Biology | Tyrosine-protein Kinase (Tyrosine Kinase) | Drug Action | Phosphotyrosine Signaling | Anticancer Drug
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Journal of chemical information and modeling, ISSN 1549-9596, 01/2019, Volume 59, Issue 1, pp. 127 - 136
Computer Science, Information Systems | Physical Sciences | Computer Science, Interdisciplinary Applications | Chemistry | Life Sciences & Biomedicine | Technology | Computer Science | Pharmacology & Pharmacy | Chemistry, Medicinal | Chemistry, Multidisciplinary | Science & Technology | Solution space | Neighborhoods | Amino acids | Compounds | Redesign | Proteins | Algorithms | Computation | Upper bounds | Searching | Energy conservation | Cost function | Heuristic | Index Medicus | Life Sciences | Modeling and Simulation | Artificial Intelligence | Biochemistry, Molecular Biology | Biomolecules | Bioinformatics
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Journal of computational chemistry, ISSN 0192-8651, 07/2016, Volume 37, Issue 19, pp. 1781 - 1793
force field | inverse protein folding problem | molecular modeling | Proteus package | Force field | Inverse protein folding problem | Molecular modeling | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Thermodynamics | Algorithms | Stochastic Processes | Heuristics | Protein Conformation | Proteins - chemistry | Proteins - chemical synthesis | Monte Carlo Method | Proteins | Monte Carlo method | Analysis | Amino acids | Comparative analysis | Monte Carlo simulation | Heuristic | Index Medicus | Life Sciences | Biochemistry, Molecular Biology
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