Difference between revisions of "Rizzo Lab Information and Tutorials"
From Rizzo_Lab
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*[[Sampling Methods]] | *[[Sampling Methods]] | ||
*[[Analog Library - Pubchem & Zinc]] | *[[Analog Library - Pubchem & Zinc]] | ||
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*[[DOCK Installation]] | *[[DOCK Installation]] | ||
*[[Optimize Polar Hydrogens]] | *[[Optimize Polar Hydrogens]] | ||
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*[http://pubchem.ncbi.nlm.nih.gov/ PubChem (ligand database)] | *[http://pubchem.ncbi.nlm.nih.gov/ PubChem (ligand database)] | ||
*[http://webbook.nist.gov/chemistry/ NIST (small molecule database)] | *[http://webbook.nist.gov/chemistry/ NIST (small molecule database)] | ||
| − | *[ | + | *[[ZINC12 Database]] |
| + | *[[ZINC15 Database]] | ||
*[[Families in the Protein Databank]] | *[[Families in the Protein Databank]] | ||
*[[Automated Family generation from PDB]] | *[[Automated Family generation from PDB]] | ||
Revision as of 10:23, 5 February 2019
Contents
DOCK
Visualization Software
Basic Linux Tools
De novo Design using DOCK
Molecular Dynamics
GROMACS
Monte Carlo
Analysis Tools
Databases
- PubChem (ligand database)
- NIST (small molecule database)
- ZINC12 Database
- ZINC15 Database
- Families in the Protein Databank
- Automated Family generation from PDB
- Drug-like organic molecules
