enhancedsampling相关论文
SPONGE (Simulation Package tOward Next GEneration molecular modeling) is a software package for molecu-lar dynamics (MD)......
Computer simulation of biochemical processes is very important and the development on simulation methods with good effic......
Protein conformation change is a fundamental problem to both computational biology and drug design.The function of a pro......
Enhanced Ab Initio Molecular Dynamics Simulation of the Temperature-Dependent Thermodynamics for the
CO diffusion on the metal surface is an elementary process in many heterogeneous catalytic reactions.The thermodynam......
Chemical Reaction Mechanisms in Solutions Studied by Enhanced Sampling Molecular Dynamics Simulation
Chemical reactions in solution can have multiple reaction pathways and it is interesting to investigate the roles of......
Ligand Binding and Release Investigated by Contact-Guided Iterative Multiple Independent Molecular D
Binding and re-leasing ligands are critical for the bi-ological functions of many proteins,so it is impor-tant to determ......
