All-atom MD simulation dataset of buried phosphorylation sites
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资源简介：
Data for: Lang B., Streit J.O., Kriwacki R., Christodoulou J., Babu M.M. (2025). Protein Dynamics Unlock Access to Hidden Post-Translational Modification Sites This repository contains all MD simulation data (PDB topology and XTC trajectory files), GROMACS/PLUMED input files (TPR/DAT files), and output files from analyses (RMSD, SASA) in a separate directory for each protein. C36m_template includes example MDP input files and the CHARMM36m (Feb. 2021 release) force field files used in this study.
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Zenodo创建时间：
2026-05-11
