模拟计算

https://zhuanlan.zhihu.com/p/458448501

https://zhuanlan.zhihu.com/p/465048028

Date: Feb1st - Sept1st (2022)

MacKerell Lab (umaryland.edu)

William L. Jorgensen Research Group - OPLS-AA/M for Proteins (yale.edu)

GROMOS力场 Biomolecular Simulation - The GROMOS Software GROMOS – Group for Computer-Aided Chemistry | ETH Zurich GROMOS=Groningen Molecular Simulation：适合烷烃、蛋白、核酸凝聚相的模拟，函数形式简单。A前边的数字代表此力场所含原子类型数目，后面的是

2022年1月13日 上午10:22 paper Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview S. Riniker J Chem Inf Model 2018 Vol. 58 Issue 3 Pages 565-578 Ac