Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[DOCK Tutorials]] | *[[DOCK Tutorials]] | ||
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*[[Testset Protocols]] | *[[Testset Protocols]] | ||
*[[Scoring Functions]] | *[[Scoring Functions]] | ||
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*[[Footprint Plot Visualization]] | *[[Footprint Plot Visualization]] | ||
*[[Sphere Generation]] | *[[Sphere Generation]] | ||
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*[[DOCK Benchmarking]] | *[[DOCK Benchmarking]] | ||
*[[Release]] | *[[Release]] | ||
Revision as of 11:31, 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 Family generation from PDB
- Drug-like organic molecules
