Using novel variable transformations to enhance conformational sampling in molecular dynamics

Physical Review Letters

Volumn 88, Issue 10, 2002, Pages 1002011-1002014

  Zhu, Zhongwei ^a   Tuckerman, Mark E ^a   Samuelson, Shane O ^b   Martyna, Glenn J ^b,c  

^a NEW YORK UNIVERSITY   (United States)

^b INDIANA UNIVERSITY   (United States)

^c IBM   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; COMPUTER SIMULATION; CONFORMATIONS; DEGREES OF FREEDOM (MECHANICS); ENTROPY; MATHEMATICAL TRANSFORMATIONS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; PROBABILITY DISTRIBUTIONS; SAMPLING; STATISTICAL MECHANICS; VECTORS;

CONFORMATIONAL SAMPLING; MOLECULAR SIMULATION;

MOLECULAR DYNAMICS;

CHEMICAL MODEL; CONFORMATION; THERMODYNAMICS;

MODELS, CHEMICAL; MOLECULAR CONFORMATION; THERMODYNAMICS;

EID: 19044377596     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/physrevlett.88.100201     Document Type: Article

References (33)