Published September 2, 2022
| Version v1
Journal article
Open
Dry trajectories of DENV virus inhibitory activity from molecular dynamics simulation
Authors/Creators
- 1. University Moulay Ismail Faculty of sciences meknes
Description
These are supplementary files of trajectories of DENV virus inhibitory activity from molecular dynamics simulation 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) (https://doi.org/10.21203/rs.3.rs-1465758/v1).
The files include: Raw Desmond trajectory files of the MD simulations of the compounds N21 and N25 [out.cms and the full trj files].