MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations
MiMiCPy-FM:一款用户友好的力匹配工具,用于扩展QM/MM MD MiMiC模拟的时间尺度
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c03185
Shivakumar, Sachin; Frumenzio, Giorgia; Musiani, Francesco; Affinito, Fabio; Ippoliti, Emiliano; Raghavan, Bharath; Rossetti, Giulia; Mandelli, Davide; Carloni, Paolo