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Journal of Computational Chemistry

Volumn 36, Issue 2, 2015, Pages 79-87

Paramfit: Automated optimization of force field parameters for molecular dynamics simulations

(2) Betz, Robin M a Walker, Ross C a,b

a UNIVERSITY OF CALIFORNIA (United States)

b UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Classical molecular dynamics; Force fields; Minimization algorithms; Parameterization

Indexed keywords

APPLICATION PROGRAMS; LINEAR PROGRAMMING; MOLECULES; PARAMETERIZATION;

ASSISTED MODEL BUILDING WITH ENERGY REFINEMENTS; AUTOMATED OPTIMIZATION; CLASSICAL MOLECULAR DYNAMICS; FORCE FIELD DEVELOPMENT; FORCE FIELD PARAMETERS; FORCE FIELDS; MINIMIZATION ALGORITHMS; MOLECULAR DYNAMICS SIMULATIONS;

MOLECULAR DYNAMICS;

EID: 84923076973 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23775 Document Type: Article

Times cited : (106)

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