Macrolides - Descladinose azithromycin +2

Silvia Gervasoni,Giuliano Malloci,Andrea Bosin,Attilio V. Vargiu,Helen I. Zgurskaya,Paolo Ruggerone

Created 15 Jun 2026Updated 1 Jul 2026This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License

MD-A007Y5

1 μs-long MD simulation of Descladinose azithromycin +2 antimicrobial compound from AB-DB dataset: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials

Run	Outputs
replica 1	Trajectory Analyses

Files

51 files · 202 MB

All files202 MB

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pca_trajectory_01.binBIN
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Contributors

Research groups: University of Cagliari, Department of Physics, I-09042, Monserrato (Cagliari), Italy
Contact: For any questions please send a mail to giuliano.malloci@dsf.unica.it

Macrolides - Descladinose azithromycin +2

Description

Molecular system

Experiments

Files

Contributors