Published on 01 January 2026 |

Version 1.0

Ensemble Sensitivity to Chemical Modifications in Free and Bound Macrocyclic Peptides

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Martinez-Noa, Yisel;Perez, Alberto

Description

These are the T-REMD simulations for the microviridin J and analogs in the free state (triplicates), and the simulations for the complexes of these peptides with trypsin using MELD.

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Zenodo