Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[ZINC12 Database]] | *[[ZINC12 Database]] | ||
*[[ZINC15 Database]] | *[[ZINC15 Database]] | ||
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*[[Optimize Polar Hydrogens]] | *[[Optimize Polar Hydrogens]] | ||
*[[Virtual Screening Protocol]] | *[[Virtual Screening Protocol]] | ||
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
