Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
(→Docking) |
(→Docking) |
||
| Line 41: | Line 41: | ||
*[[Sphere Generation]] | *[[Sphere Generation]] | ||
*[[DOCK Compilation]] | *[[DOCK Compilation]] | ||
| − | |||
*[[DOCK Benchmarking]] | *[[DOCK Benchmarking]] | ||
*[[Release]] | *[[Release]] | ||
Revision as of 11:20, 4 February 2019
Contents
Visualization Software
Basic Linux Tools
Docking
De novo Design using DOCK
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC (ligand database)
- Families in the Protein Databank
- Automated Families generation from the Protein Databank
- Drug-like organic molecules
