Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[http://blaster.docking.org/zinc/ ZINC (ligand database)] | *[http://blaster.docking.org/zinc/ ZINC (ligand database)] | ||
*[[Families in the Protein Databank]] | *[[Families in the Protein Databank]] | ||
| + | *[[Automated Families generation from the Protein Databank]] | ||
*[[Drug-like organic molecules]] | *[[Drug-like organic molecules]] | ||
Revision as of 12:47, 13 September 2010
Contents
Visualization Software
Basic Linux Tools
DOCKing
| DOCK Tutorials | Testset Protocols | Scoring Functions | Sampling Methods |
| ZINC Database | Installing DOCK | Optimize Polar Hydrogens | Virtual Screening Protocol |
| Sphere Generation |
Molecular Dynamics
| AMBER Tutorials | AMBER TI Tutorials | AMBER tricks |
| NAMD tutorial | NAMD Amber inputs | |
| ptraj |
Monte Carlo
Analysis Tools
Databases
- NCI (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 |
