Difference between revisions of "Rizzo Lab Information and Tutorials"
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*[http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm Online Users Manual] | *[http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm Online Users Manual] | ||
| − | *[[Tutorials]] - | + | *[[Tutorials]] - virtual screen, de novo design, genetic algorithm, covalent |
| − | *[[Benchmarking Lab SOP and Results]] - | + | *[[Benchmarking Lab SOP and Results]] - pose reproduction, crossdocking and database enrichment SOP and other algorithm results |
*[[Virtual Screening Compound Ordering SOP]] | *[[Virtual Screening Compound Ordering SOP]] | ||
<!-- *[[Testset Protocols]]--> | <!-- *[[Testset Protocols]]--> | ||
Revision as of 18:39, 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
