Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[Developer's Info]] | *[[Developer's Info]] | ||
<!-- *[[Testset Protocols]]--> | <!-- *[[Testset Protocols]]--> | ||
| + | *[[Additional DOCK6 Information]] | ||
*[[Parameter List/Explanations]] | *[[Parameter List/Explanations]] | ||
*[[Scoring Functions]] | *[[Scoring Functions]] | ||
Revision as of 18:22, 8 March 2024
Contents
DOCK
Visualization Software
Basic Linux Tools
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC12 Database
- ZINC15 Database
- Families in the Protein Databank
- Automated Family generation from PDB
- Drug-like organic molecules
Conversion between file types
Setting up accounts
