We develop algorithms and employ computer techniques and computer technology for the modeling, simulations and predictions of biochemical and pharmacological reactions and interactions. Central activities in the laboratory are:
1) Development of novel algorithms for the elucidation of structure-function relations in proteins: mainly constructing „ensembles‰ of solutions rather than single ones.
Current subjects are: Protein folding and design, protein-protein and protein-ligand docking, protein-DNA interactions, comparative modeling and predictions of multiple loops,structures of G-protein coupled receptors, de-novo design of inhibitors, drug-likeness and
drug-like libraries.
2) Applications in Drug design, Structure based design and cheminformatics: antivirals as N-myristoyltrasnferase inhibitors, aging of acetylcholine esterase, Src family inhibitors,estrogen receptor anti cancer drugs, MMP inhibitors.
Personnel:
2 research associates, 1 postdoctoral fellow, 8 PhD
Specific Information on the competence offered:
Searching for partners in Life Sciences, Genomics and Biotechnology for Health (priority 1.1.1 in FP6) Espeically LSH-2003-1.2.1-2: Computer assisted modeling for drug discovery and testing. We would like to contribute to any project that requires structural studies of biomolecules or considerations of biomolecular structures and interactions, as well as drug design and development.
In addition, projects of Information Society Technologies (priority 1.1.2) could also be a basis for cooperation.
Professor Amiram Goldblum
Hebrew University of Jerusalem
Medicinal Chemistry and Natural Products
School of Pharmacy, Ein-Kerem Campus
IL-91120 Jerusalem
Israel
Telephone: +972-2-6758701
Fax: +972-2-6758925
