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The GROMOS software for biomolecular simulation: GROMOS05
Open accessAbstract
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. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1719–1751, 2005
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Marrink, S. J., de Vries, A. H., & Mark, A. E. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp036508g · Cited by 2,257
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Metadata
- Authors
- Christen, M., Hünenberger, P. H., Bakowies, D., Baron, R., Bürgi, R., Geerke, D. P., Heinz, T. N., Kastenholz, M. A., Kräutler, V., Oostenbrink, C., Peter, C., Trzesniak, D., & van Gunsteren, W. F.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2005-10-06
- Volume
- 26
- Issue
- 16
- Pages
- 1719-1751
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2113149246
- Cited by
- 646
- References
- 1
- FWCI
- 7.03
- Type
- journal article
- Language
- en
- Open access
- green
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- Christen, M., Hünenberger, P. H., Bakowies, D., Baron, R., Bürgi, R., Geerke, D. P., Heinz, T. N., Kastenholz, M. A., Kräutler, V., Oostenbrink, C., Peter, C., Trzesniak, D., & van Gunsteren, W. F. (2005). The GROMOS software for biomolecular simulation: GROMOS05. Journal of Computational Chemistry. https://doi.org/10.1002/jcc.20303
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