The Division for Development and Public Relations  

 
AMIRAM  GOLDBLUM,  HANS J. AND TILLY WEIL PROFESSOR OF PHARMACEUTICAL CHEMISTRY 
Status : EMERITUS Birth place : TEL AVIV
Office Phone: 02-675-8701 Fax: 02-679-6584
E-Mail: amiramg@ekmd.huji.ac.il
U.R.L: http://medchem-models.ekmd.huji.ac.il
 
Department Faculty  
SCHOOL OF PHARMACY FACULTY OF MEDICINE Dept. Description
INSTITUTE FOR DRUG RESEARCH FACULTY OF MEDICINE Dept. Description
 
Academic Degree   Institution Year
Ph.D. HEBREW UNIV. 1977
 
Academic Position   Year
EMERITUS 2014
PROFESSOR 2010
ASSOC. PROFESSOR 1989
SENIOR LECTURER 1984
LECTURER 1979
 
Administrative Position   From To
Director, Laboratory of Molecular Modeling and Drug Design. 2010
 
External Academic Positions and Awards
Post-doctoral Fellow, Inst. Biologie Physicochimique, Paris,
1977-78; Pomona College, Calif., 1978-79.
Visiting Scientist, Stanford Univ., 1979-80.
 
Research Interests
Novel algorithms for molecular modeling and drug design, protein design
and protein folding. Docking of ligands to proteins, homology modeling,
protein interactions, quantitative structure activity relations of
molecules and drugs, protein-protein and protein ligand selectivity,
polypharmacology and multitargeting. Applications of drug discovery to
Alzheimer s disease, cancer, allergy, toxicity; drug loading and release
from liposomes. Illegal and legal drugs.
 
Research Projects
Optimization algorithm development - iterative stochastic elimination.
Agonists and antagonists of toll like receptors.
Models for solubility, lipophilicity, BBB.
Illegal drugs and 'legal highs' - structures and interactions.
Multitargeting of secretases for anti-Alzheimer drug candidates.
Selectivity of novel sequesters of iron.
Nanoparticles: modeling loading/release from liposomes.
'Self selectivity' in protein-protein and protein-kigand
 
Selected Publications
Publication Title   Year
Computer-aided design of liposomal drugs: In silico prediction 2013
Indexing molecules for their hERG liability. 2013
Targeting the oligomerization of BCR/ABL by membrane permeable 2012
Quantitative structure: Property relationship modeling of remote 2012
Understanding drug-likeness. 2011
Molecular properties from conformational ensembles. 1. Dipole 2011
Flexible protein-protein docking based on Best-First search 2010
Predicting oral druglikeness by iterative stochastic 2010
Liposome drugs' loading efficiency: A working model based on 2009
High quality binding modes in docking ligands to proteins. 2008
COMP 372-Docking populations for predicting multiple binding 2008
CINF 61-Molecular selectivity index for ligand based drug 2008
A model for the structure of the C-terminal domain of dragline 2007
Constructing ensembles of flexible fragments in native proteins 2007
Computational protein design: a novel path to future protein 2006
Exploring the conformational space of cyclic peptides by a 2004
Stochastic algorithm for kinase homology model construction. 2004
Identifying the binding mode of a molecular scaffold. 2004
Anhydride formation is not a valid mechanism for peptide 2003
Refined structure of bovine carboxypeptidase A at 1.25 angstrom 2003
Inhibition of LDL oxidation by flavonoids in relation to their 2003
Theoretical studies of catalysis by carboxypeptidase A: Could 2003
The "nearest single neighbor" method: Finding families of 2003
Mechanism of action of zinc proteinases: A MNDO/d/H study of 2002
A stochastic algorithm for global optimization and for best 2002
Two cysteine residues in the DNA-binding domain of CREB control 2001
A novel computational method for predicting the transmembrane 2000
A novel energy based stochastic method for positioning polar 2000
A study of carboxypeptidase-A complexes by high resolution 1998
A novel computational method for predicting the transmembranal 1998
A stochastic method for the positioning of protons in X-ray 1998
On the mechanism of proteinases. In: 1997
Modulation of proteolytic activity of avian sarcoma leukemia 1995
Extending crystallographic information with semi-empirical 1993
Determining proton positions in an enzyme-inhibitor complex is a 1993
Spatial structure of 4npi helicene dianions. 1992
Modeling of inhibitors for HIV-1 proteinase. 1992
A molecular model for and anionic mu-receptor: Affinity and 1991
Comments on the "Synthesis and Characterization of Some New 1991
Theoretical models of AP: Active site properties, dimer 1991
Semiempirical MNDO/H calculations of opiates. 1. Building 1990
Modulation of the affinity of aspartic proteinases by the 1990
 
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