all-atom MD simulation data of Human ATP-synthase c8-ring in simple membrane models + source code PylipID-one-binding site
收藏官方服务：
资源简介：
Repository contains: 1) Simulation files for human ATP-synthase c8-ring (PDB-id: 8h9f) in membrane models: noBMP (POPC/POPE 67/33 %), baseBMP1 (POPC/POPE/BMP1 55/25/20 %), basePOPG (POPC/POPE/POPG 55/25/20 %). Each simulation system contains data from 5 repeats. Both setup files (mdp,gro,ndx,top/itp and tpr) as well as trajectory data (water removed, protein centered) are deposited. 2) Inhouse modified pylipID version for single binding site calculations.
提供机构：
Zenodo创建时间：
2026-06-22
