Difference between revisions of "Rizzo Lab Information and Tutorials"
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{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
|[[De Novo Design]] | |[[De Novo Design]] | ||
| + | |[[De Novo Design (DOCK_DN)]] | ||
|[[CONGA (CONstruction by Genetic Algorithm)]] | |[[CONGA (CONstruction by Genetic Algorithm)]] | ||
| + | |[[Small Molecule Evolution (DOCK_GA)]] | ||
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Revision as of 10:29, 10 September 2018
Contents
Visualization Software
Basic Linux Tools
Docking
De novo Design using DOCK
| De Novo Design | De Novo Design (DOCK_DN) | CONGA (CONstruction by Genetic Algorithm) | Small Molecule Evolution (DOCK_GA) |
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC (ligand database)
- Families in the Protein Databank
- Automated Families generation from the Protein Databank
- Drug-like organic molecules
BlueGene
Conversion between file types
Setting up accounts
| Getting a BNL Account | Activating your Seawulf Account | Rotation students Wiki | Setting up RSA SecureID token |
