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International Journal of Quantum Chemistry

Volumn 82, Issue 2, 2001, Pages 86-103

Parameterization of the approximate valence bond (AVB) method to describe potential energy surface in the reaction catalyzed by HIV-1 protease

(3) Trylska, Joanna a Grochowski, Paweł b Geller, Maciej a,b

a UNIVERSITY OF WARSAW (Poland)

b UNIVERSITY OF WARSAW (Poland)

Author keywords

Approximate valence bond method; Density functional calculations; Enzymatic reaction; HIV 1 protease; Molecular dynamics

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; ORGANIC ACIDS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PROTONS; WATER;

APPROXIMATE VALENCE BOND (AVB) METHOD; POTENTIAL ENERGY SURFACES (PES);

ENZYME KINETICS;

EID: 0035868285 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/1097-461X(2001)82:2<86::AID-QUA1024>3.0.CO;2-E Document Type: Article

Times cited : (11)

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