SCOPUS 정보 검색 플랫폼

QSAR and Combinatorial Science

Volumn 23, Issue 9, 2004, Pages 754-766

Simulation-based predictions of binding affinities of matrix metalloproteinase inhibitors

(6) Khandelwal, Akash a Lukacova, Viera a Kroll, Daniel M a Çömez, Dogan a Raha, Soumyendu b Balaz, Stefan a

a NORTH DAKOTA STATE UNIVERSITY (United States)

b North Dakota State University (United States)

Author keywords

Binding affinity; Free energy of binding; Linear response approximation; Matrix metalloproteinases; Molecular dynamics

Indexed keywords

BINDING ENERGY; ENZYME INHIBITION; FREE ENERGY; LIGANDS; MATRIX ALGEBRA; MONTE CARLO METHODS; VAN DER WAALS FORCES;

BINDING AFFINITIES; FREE ENERGY OF BINDING; FREE LIGANDS; LINEAR RESPONSE APPROXIMATION; MATRIX; MATRIX METALLOPROTEINASE; MATRIX METALLOPROTEINASE-9; METALLOPROTEINASES; SIMULATION-BASED PREDICTIONS; TEST SETS;

MOLECULAR DYNAMICS;

GELATINASE B; HYDROXAMIC ACID; MATRIX METALLOPROTEINASE INHIBITOR; SOLVENT;

ARTICLE; BINDING AFFINITY; CALCULATION; ENZYME ACTIVE SITE; HYDRATION; ISOMERISM; LIGAND BINDING; LINEAR SYSTEM; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MONTE CARLO METHOD; PRIORITY JOURNAL; SIMULATION; SOLVATION; SURFACE GENERALIZED BORN CONTINUUM SOLVATION MODEL; VALIDATION PROCESS;

EID: 9644302571 PISSN: 1611020X EISSN: None Source Type: Journal
DOI: 10.1002/qsar.200430896 Document Type: Article

Times cited : (7)

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