Poster 1

[PS1-29] Development of the hybrid QM/MM method in GENESIS and applications to enzyme reactions

*Kiyoshi Yagi¹, Yuji Sugita^1,2,3 (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