AI-guided transition path sampling reveals distinct dimerization pathways of STIM1 transmembrane helices
收藏NIAID Data Ecosystem2026-05-02 收录
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https://zenodo.org/record/10996948
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资源简介：
The notebook TPS.ipynb contains code and files to reproduce TPS training and crossvaliation.
For gromacs input files, see the directory gmx_files.
Transition state ensemble (TSE) and bound state ensemble (BSE) clusters are deposited in the corresponding directories.
Example transition path trajectories are deposted in Example_trajectories.
创建时间：
2025-02-17
