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Tutorials

Additional tutorials can be found on our teaching and courses page

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.
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