Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[Tutorials]] | *[[Tutorials]] | ||
** virtual screen, de novo design, genetic algorithm, covalent | ** virtual screen, de novo design, genetic algorithm, covalent | ||
| − | *[[Benchmarking | + | *[[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 | ||
*[[Virtual Screening Compound Ordering SOP]] | *[[Virtual Screening Compound Ordering SOP]] | ||
Revision as of 10:27, 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
