Literature DB >> 16211540

The GROMOS software for biomolecular simulation: GROMOS05.

Markus Christen1, Philippe H Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P Geerke, Tim N Heinz, Mika A Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak, Wilfred F van Gunsteren.   

Abstract

We present the latest version of the Groningen Molecular Simulation program package, GROMOS05. It has been developed for the dynamical modelling of (bio)molecules using the methods of molecular dynamics, stochastic dynamics, and energy minimization. An overview of GROMOS05 is given, highlighting features not present in the last major release, GROMOS96. The organization of the program package is outlined and the included analysis package GROMOS++ is described. Finally, some applications illustrating the various available functionalities are presented. (c) 2005 Wiley Periodicals, Inc.

Mesh：

Year:  2005        PMID： 16211540     DOI： 10.1002/jcc.20303

Source DB:  PubMed          Journal:  J Comput Chem        ISSN： 0192-8651            Impact factor:   3.376


  147 in total

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10.  Drug screening strategy for human membrane proteins: from NMR protein backbone structure to in silica- and NMR-screened hits.

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