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Journal of Physical Chemistry A

Volumn 109, Issue 29, 2005, Pages 6387-6391

Processing multimode binding situations in simulation-based prediction of ligand-macromolecule affinities

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

a NORTH DAKOTA STATE UNIVERSITY (United States)

b North Dakota State University (United States)

c Center for Pharmacoepidemiology and Pharmacoeconomic Research (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING AFFINITIES; LINEAR-RESPONSE (LR) APPROXIMATION; SOLVATION; VAN DER WAALS ENERGIES;

APPROXIMATION THEORY; COMPUTER SIMULATION; CONFORMATIONS; MACROMOLECULES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROTEINS; VAN DER WAALS FORCES;

BINDING ENERGY;

LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; MACROMOLECULE;

COMPUTER SIMULATION; LIGANDS; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 23844440184 PISSN: 10895639 EISSN: None Source Type: Journal
DOI: 10.1021/jp051105x Document Type: Article

Times cited : (6)

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