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Designing of the ROCK1 inhibitors
- Publication Year :
- 2021
- Publisher :
- Zenodo, 2021.
-
Abstract
- Title:Designing of the N-ethyl-4-(pyridin-4-yl)benzamide based potent ROCK1 inhibitors using Docking, Molecular Dynamics, and 3D-QSAR The ZIP file contains all the protein-ligand docked complex, input/output files, ligand topology-parameter files, forcefield, and running scripts used on the above study.
- Subjects :
- Molecular Dynamics
Protein-ligand complex
Docking
Gromacs script
Subjects
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....6a29aefafeff86165a0f76f9463ae379
- Full Text :
- https://doi.org/10.5281/zenodo.5077970