Robust conformational space exploration of cyclic peptides by combining different MD protocols and force fields
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REMD and ST molecular dynamics simulation trajectories of nine cyclic peptides. Data and scripts for the article Murail et al. (2025) "Robust conformational space exploration of cyclic peptides by combining different MD protocols and force fields". Preprint on bioRxiv: https://doi.org/10.1101/2025.03.31.646350 The additional data and scripts for the second version of the preprint on bioRxiv is in the file zenodoMurailStratmann_08072025.tar.gz Published in JCTC, 26 sept 2025: https://doi.org/10.1021/acs.jctc.5c01123
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Zenodo创建时间：
2025-03-31
