Published September 3, 2022
| Version v1
Journal article
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Dry trajectories and topology files of DENV virus inhibitory activity from molecular dynamics simulation
Authors/Creators
- 1. University Moulay Ismail Faculty of sciences Meknes
Description
Dataset Molecular Dynamics simulations of DENV virus inhibitory activity from to the preprint/paper "HQSAR, CoMFA, CoMSIA docking studies and simulation MD on quinazolines/quinolines derivatives for DENV virus inhibitory activity" using Maestro (Schrödinger, LLC, New York, NY, 2018).
The files include: Raw Desmond trajectory files, topologies and all other files generated during the MD simulation of the compounds N21 and N25.