GENESIS: a hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations.

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Published in Wiley Interdiscip Rev Comput Mol Sci on May 07, 2015

Authors

Jaewoon Jung1, Takaharu Mori2, Chigusa Kobayashi1, Yasuhiro Matsunaga1, Takao Yoda3, Michael Feig4, Yuji Sugita5

Author Affiliations

1: Computational Biophysics Research Team, RIKEN Advanced Institute for Computational Science Kobe, Japan.
2: Theoretical Molecular Science Laboratory, RIKEN Wako-shi, Japan.
3: Nagahama Institute of Bio-Science and Technology Nagahama, Japan.
4: Department of Biochemistry and Molecular Biology, and Department of Chemistry, Michigan State University East Lansing, MI, USA.
5: Computational Biophysics Research Team, RIKEN Advanced Institute for Computational ScienceKobe, Japan; Theoretical Molecular Science Laboratory, RIKENWako-shi, Japan; Interdisciplinary Theoretical Science Research Group, RIKENWako-shi, Japan; Laboratory for Biomolecular Function Simulation, RIKEN Quantitative Biology CenterKobe, Japan.

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