Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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|[[Virtual Screening Protocol on BlueGene (IGF-IR system)]] | |[[Virtual Screening Protocol on BlueGene (IGF-IR system)]] | ||
|[[DOCK Benchmarking]] | |[[DOCK Benchmarking]] | ||
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|[[Release]] | |[[Release]] | ||
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| + | == de novo Design == | ||
| + | |[[DOCK Denovo]] | ||
| + | |[[CONGA]] | ||
== Molecular Dynamics == | == Molecular Dynamics == | ||
Revision as of 12:41, 17 January 2018
Contents
Visualization Software
Basic Linux Tools
Docking
de novo Design
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 |
