Modeling of biomolecular systems with the quantum mechanical and molecular mechanical method based on the effective fragment potential technique: Proposal of flexible fragments

Journal of Physical Chemistry A

Volumn 106, Issue 44, 2002, Pages 10663-10672

  Grigorenko, Bella L ^a   Nemukhin, Alexander V ^a   Topol, Igor A ^b   Burt, Stanley K ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b SAIC FREDERICK INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVE FRAGMENT POTENTIAL (EFP);

CATALYSTS; CHEMICAL BONDS; CONFORMATIONS; DIMERS; ENZYMES; PROTEINS;

QUANTUM THEORY;

EID: 0037038563     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026464w     Document Type: Article

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