Discovery of Nav1.9 Inhibitors through a Selective Virtual Screening Strategy
Abstract
This includes all the parameter (.prmtop), coordinate (.inpcrd), trajectories (.mdcrd) and output (.out) files of all the reported MD simulations ran in Amber. Details can be found in the README file.
Fields of Study & Subjects
Computational Drug Discovery Methods
Ion channel regulation and function
Cholinesterase and Neurodegenerative Diseases
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 6 February 2026
- Language
- EN
- Document type
- Dataset