- COMBINE
COMBINE analysis to derive protein structure-based QSARs (June 3-4, 2002)
- GRID
GRID for structure-based drug design (June 3-4, 2002)
- UHBD
UHBD to compute electrostatic binding free energy (June 3-4, 2002)
- 3DFS
3DFS to do a flexible ligand pharmacophore search (June 3-4, 2002)
- Tutorials for binding kinetics calculations
These include tutorials for tauRAMD computations of relative residence times, COMBINE analysis for quantitative structure-kinetic relationships (QSKRs), SDA for bimolecular diffusional association rate constants, R for multiple linear regression to derive QSKRs, and Berkeley Madonna for pharmacokinetics.