Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[Benchmarking Protocols and Results]] | *[[Benchmarking Protocols and Results]] | ||
** testset, pose reproduction, crossdocking, database enrichment SOP and other algorithm results | ** testset, pose reproduction, crossdocking, database enrichment SOP and other algorithm results | ||
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<!-- *[[Testset Protocols]]--> | <!-- *[[Testset Protocols]]--> | ||
*[[Additional DOCK6 Information]] | *[[Additional DOCK6 Information]] |
Revision as of 10:41, 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