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International Journal of Quantum Chemistry

Volumn 113, Issue 12, 2013, Pages 1669-1675

Quantum mechanics approaches to drug research in the era of structural chemogenomics

(3) Ilatovskiy, Andrey V a,b Abagyan, Ruben a Kufareva, Irina a

a UNIVERSITY OF CALIFORNIA SAN DIEGO (United States)

b PETERSBURG NUCLEAR PHYSICS INSTITUTE (Russian Federation)

Author keywords

binding energy prediction; binding pocket ensemble; pocketome; protein ligand complex; virtual ligand screening

Indexed keywords

BINDING POCKETS; COMPUTATIONAL PREDICTIONS; CRYSTALLOGRAPHIC INFORMATION; NON-COVALENT INTERACTION; POCKETOME; PROTEIN-LIGAND COMPLEXES; PROTEIN-LIGAND INTERACTIONS; VIRTUAL LIGAND SCREENING;

BINDING ENERGY; CALCULATIONS; COMPLEXATION; IONS; QUANTUM THEORY;

RESEARCH;

EID: 84877582393 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24400 Document Type: Review

Times cited : (13)

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