Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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== de novo Design == | == de novo Design == | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
| − | |[[DOCK | + | |[[de novo DOCK]] |
|[[CONGA]] | |[[CONGA]] | ||
|} | |} | ||
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== Molecular Dynamics == | == Molecular Dynamics == | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
Revision as of 12:44, 17 January 2018
Contents
Visualization Software
Basic Linux Tools
Docking
de novo Design
| de novo DOCK | CONGA |
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 |
