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Volumn 6, Issue 9, 2011, Pages 1578-1580
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Small molecule binding to proteins: Affinity and binding/unbinding dynamics from atomistic simulations
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Author keywords
Binding kinetics; Computational chemistry; FKBP; Fragment based drug design; Molecular dynamics
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Indexed keywords
ANTIBODY;
DIMETHYL SULFOXIDE;
ENZYME;
ISOMERASE;
METHYL GROUP;
ANALYZER;
ARTICLE;
BINDING AFFINITY;
BINDING SITE;
DRUG BINDING;
HYDROGEN BOND;
HYDROPHOBICITY;
KINETICS;
MOLECULAR DOCKING;
MOLECULAR DYNAMICS;
MOLECULE;
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;
PRIORITY JOURNAL;
PROTEIN ANALYSIS;
PROTEIN BINDING;
COMPUTING METHODOLOGIES;
CRYSTALLOGRAPHY, X-RAY;
DIMETHYL SULFOXIDE;
HUMANS;
KINETICS;
MAGNETIC RESONANCE SPECTROSCOPY;
MOLECULAR DYNAMICS SIMULATION;
PROTEIN BINDING;
TACROLIMUS BINDING PROTEINS;
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EID: 80052087953
PISSN: 18607179
EISSN: 18607187
Source Type: Journal
DOI: 10.1002/cmdc.201100237 Document Type: Article |
Times cited : (31)
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References (15)
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