Markov state models serve as a powerful tool for probing the transition from static to dynamic conformations in enzymes: A new direction for next-generation enzyme design
收藏官方服务：
资源简介：
Construction of molecular dynamics simulation trajectories and scripts for MSM using the α5 structure of CALB as a feature. To reduce file size, only protein molecules are kept in the trajectory.
提供机构：
Zenodo创建时间：
2026-08-24
