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Journal of Computational Chemistry, ISSN 0192-8651, 05/2016, Volume 37, Issue 14, pp. 1283 - 1295
Journal Article
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2016, Volume 144, Issue 23, p. 234106
Flexibility-rigidity index (FRI) has been developed as a robust, accurate, and efficient method for macromolecular thermal fluctuation analysis and B-factor... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | PREDICTIONS | NORMAL-MODE ANALYSIS | PROTEINS | MOTIONS | Proteins | Formulations | Variations | Rigidity | Flexibility | Quantitative Biology - Biomolecules
Journal Article
BBA - Proteins and Proteomics, ISSN 1570-9639, 2011, Volume 1814, Issue 8, pp. 969 - 976
Proteins rely on flexibility to respond to environmental changes, ligand binding and chemical modifications. Potentially, a perturbation that changes the... 
Ligand binding | Protein stability | Flexibility | Protein affinity | LIGAND-BINDING | THERMODYNAMIC STABILITY | BIOCHEMISTRY & MOLECULAR BIOLOGY | HYDROPHOBIC CORE SUBSTITUTIONS | MUSCLE TROPONIN-C | BIOPHYSICS | DIHYDROFOLATE-REDUCTASE | 2-STATE PROTEINS | INTERMOLECULAR INTERACTIONS | ENERGY LANDSCAPE | RECEPTOR-BINDING | SH3 DOMAIN
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 12/2009, Volume 30, Issue 16, pp. 2785 - 2791
We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the... 
protein flexibility | covalent ligands | computer‐aided drug design | AutoDock | computational docking | ALGORITHMS | FLEXIBLE LIGANDS | SUCCESSES | PROTEINS | computer-aided drug design | CHEMISTRY, MULTIDISCIPLINARY | CHALLENGES | Models, Molecular | Protein Binding | Ligands | Software | Proteins - metabolism
Journal Article