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
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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.
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Zenodo创建时间：
2026-03-17
