Published October 6, 2023
| Version v1
Dataset
Open
Identification of novel NLRP3 Inhibitors a comprehensive approach using 2D-QSAR, molecular docking, molecular dynamics simulation and drug-likeness evaluation
Authors/Creators
- 1. Laboratory of Engineering in Chemistry and Physics of Matter, Faculty of Science and Technologies, Sultan Moulay Slimane University, BP 523, Beni Mellal, Morocco.
Description
This dataset encapsulates the comprehensive outputs derived from molecular docking and molecular dynamics (MD) simulation studies conducted to investigate the binding affinities, interactions, and dynamic behaviors of selected ligands with NLRP3.
Files
Files
(1.1 MB)
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md5:7455fa16341b6879c3cfcc7c8d6a89d4
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1.1 MB | Download |