Difference between revisions of "Rizzo Lab Information and Tutorials"
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{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
*[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 Protocols and Results]] | |
| + | ** testset, pose reproduction, crossdocking, database enrichment SOP and other algorithm results | ||
*[[Additional DOCK6 Information]] | *[[Additional DOCK6 Information]] | ||
| + | ** miscellaneous information for DOCK scoring functions and experiments (some legacy) | ||
|} | |} | ||
Latest revision as of 10:50, 25 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
