Software news and update RedMD-reduced molecular dynamics package

Journal of Computational Chemistry

Volumn 30, Issue 14, 2009, Pages 2364-2373

  Górecki, Adam ^a,b   Szypowski, Marcln ^a   Dlugosz, Maciej ^a   Trylska, Joanna ^a  

^a UNIVERSITY OF WARSAW   (Poland)

^b UNIVERSITY OF WARSAW   (Poland)

Author keywords

Coarse grained; Elastic network; Models; Molecular dynamics; Normal mode analysis; Openmp parallelization

Indexed keywords

ANISOTROPIC NETWORKS; BROWNIAN DYNAMICS; C++ LANGUAGE; COARSE-GRAINED; COMMAND LINE; ELASTIC NETWORK; ELASTIC NETWORK MODELS; FORCE FIELD PARAMETERS; FORCE FIELDS; LANGEVIN; MICROCANONICAL ENSEMBLES; MOLECULAR DYNAMICS SIMULATIONS; NORMAL MODE ANALYSIS; OPENMP PARALLELIZATION; PARALLELIZATIONS; REDUCED MODEL; SHARED MEMORIES; XML FORMAT;

BROWNIAN MOVEMENT; COMPUTER SOFTWARE; DYNAMICS; MARKUP LANGUAGES; MOLECULAR DYNAMICS; NUCLEIC ACIDS; POTENTIAL ENERGY FUNCTIONS;

SIMULATORS;

NUCLEIC ACID; PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; NUCLEIC ACIDS; PROTEINS; SOFTWARE;

EID: 70349459446     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21223     Document Type: Article

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