Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[Testset Protocols]] | *[[Testset Protocols]] | ||
*[[Parameter List/Explanations]] | *[[Parameter List/Explanations]] | ||
| + | *[[Example Input Files]] | ||
*[[Scoring Functions]] | *[[Scoring Functions]] | ||
*[[Sampling Methods]] | *[[Sampling Methods]] | ||
Revision as of 10:35, 5 February 2019
Contents
DOCK
Visualization Software
Basic Linux Tools
De novo Design using DOCK
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
