Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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== Docking == | == Docking == | ||
{| cellpadding=0 width=90% | {| cellpadding=0 width=90% | ||
| − | + | *[[DOCK Tutorials]] | |
| − | + | *[[Covalent DOCK]] | |
| − | + | *[[Testset Protocols]] | |
| − | + | *[[Scoring Functions]] | |
| − | + | *[[Sampling Methods]] | |
| − | + | *[[3D Analog Library Generation Using Pubchem and Zinc]] | |
| − | + | *[[ZINC12 Database]] | |
| − | + | *[[ZINC15 Database]] | |
| − | + | *[[Installing DOCK]] | |
| − | + | *[[Optimize Polar Hydrogens]] | |
| − | + | *[[Virtual Screening Protocol]] | |
| − | + | *[[Footprint Plot Visualization]] | |
| − | + | *[[Sphere Generation]] | |
| − | + | *[[DOCK Compilation]] | |
| − | + | *[[Virtual Screening Protocol on BlueGene (IGF-IR system)]] | |
| − | + | *[[DOCK Benchmarking]] | |
| − | + | *[[Release]] | |
| − | |||
| − | |||
|} | |} | ||
Revision as of 11:04, 4 February 2019
Contents
Visualization Software
Basic Linux Tools
Docking
De novo Design using DOCK
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 |
