| - A new Server running the
recent Linux versions of Insight II and GCG Wisconsin Package is installed.
- DMol3 and Gaussian software
for quantum mechanical calculations are available, interfaced with Cerius 2
modeling software.
- The PDB (Protein Data Bank) database from
RCSB (Research Center for Structural Bionformatics) is available locally at
the CSBL. Users can automatically retrieve protein structure files and
perform computational analysis including:
- Structure refinement
- Homology modeling
- Energy minimizations
- Dynamics simulations
- Solvent simulations
- Protein-ligand binding affinity
- Ligand docking
- De novo ligand construction
- Proteolytic enzyme analysis
- Phylogenetic studies
|