Accelerating quantum mechanical/molecular mechanical sampling using pure molecular mechanical potential as an importance function: The case of effective fragment potential

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Bandyopadhyay, Pradipta ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY GUWAHATI   (India)

Author keywords

[No Author keywords available]

Indexed keywords

FRAGMENT POTENTIAL; MECHANICAL POTENTIAL; MOLECULAR MECHANICAL SAMPLING; SEMI-AUTOMATED WAYS;

ACCELERATION; AMINO ACIDS; FUNCTIONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

QUANTUM THEORY;

EID: 22944471112     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1861890     Document Type: Article

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