Presentation Information
[PS1-29]Development of the hybrid QM/MM method in GENESIS and applications to enzyme reactions
*Kiyoshi Yagi1, Yuji Sugita1,2,3 (1. Theoretical Molecular Science Laboratory, RIKEN CPR (Japan), 2. Computational Biophysics Research Team, RIKEN R-CCS (Japan), 3. Laboratory for Biomolecular Function Simulation, RIKEN BDR (Japan))
Keywords:
QM/MM,MD,Density functional theory,Enzyme reactions
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