Group seminar on Computational Topics in Protein Structure Analysis




Fall and spring semesters 2001/2002
This year the seminar is an internal group seminar Lead by Prof. Haim Wolfson.

The seminar deals with the following topics (the lectures powerpoint presentations are available for downloading):

Pharmacophore, ligand matching and docking:

Pharmacophore properties and docking.

Flex* family of algorithms .


Pharmacokinetics and ADME related lectures:

Pharmacokinetics and ADME .

QSAR methods .

Cytochrome P450 enzyme .

Lipinski's rule of five .


The Capri I contest:

Capri I target and algorithm information .


Students personal works:

Unbound Docking of Rigid Molecules (Dina Duhovny).

Computational Study of Protein Folding Pathways (Nurit Haspel).

MASS - Multiple Structural Alignment using Secondary Structure elements. (Oranit Shem-Tov).

Multi Prot - A multiple structural alignment algorithm (Maxim Shatsky).







Comments and suggestions are welcome at mol@tau.ac.il