Research Topics
Training Areas
Education
Ph.D., Etvs Lornd University
New York University
Biography
Research
New topic
Specific Clinical/Research Interest:
Computer simulation of aqueous
systems; methodology and biomolecular applications
Summary of Research Studies:
Research in my laboratory centers on
developing computational techniques for the modeling and understanding of
complex molecular systems such as proteins and nucleic acids in their aqueous
environments. The methods developed are applied to problems of interest in
structural biology. Methodological developments focus on novel techniques to
calculate free energy from computer simulations, on extending the range of
applicability of grand-canonical ensemble simulations, on enhancing Monte Carlo
sampling algorithms and on developing novel approaches to the analysis and
visualization of macromolecular structures and computer simulation results.
These techniques are applied to the calculation of the solvent contribution to
conformational free energy differences between various conformation of
polypeptides, drug candidates; probing ionic solvation; modeling lipid
bilayers. In addition, ligand-protein interactions are studied by docking
tecniques and by molecular dynamics. Recent work showed that grand-canonical
ensemble simulations can be used to predict sites for derivatizing a ligand in
order to enhance its binding affinity.
Publications
Cui M, Mezei M, Osman R. Prediction of protein loop structures using a local move Monte Carlo approach and a grid-based force field. Protein Eng. Des. Sel 2008; 21: 729-735.
Pan C, Mezei M, Mujtaba S, Muller M, Zeng L, Li J, Wang Z, Zhou MM. Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 tat association with the human coactivator p300/CREB binding protein-associated factor. J. Med. Chem 2007; 50: 2285-2288.
Speidel JA, Banfelder JR, Mezei M. Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations. J. Chem. Theory and Comp 2006; 2: 1429-1434.
Mezei M, Filizola M. TRAJELIX: A computational tool for the geometric characterization of protein helices during molecular dynamics simulations. J. Computer-Aided Molecular Design 2006; 20: 97-107.
Mezei M, Fleming PJ, Srinivasan R, Rose GD. The solvation free energy of the peptide backbone is conformation-dependent. Proteins 2004; 55: 502-507.
Mezei M. A novel fingerprint for the characterization of protein folds. Prot. Engng 2003; 16: 713-715.
Mezei M. A new method for mapping macromolecular topography. J. Mol. Graph. Model 2003; 21: 463-472.
Industry Relationships
Physicians and scientists on the faculty of the Icahn School of Medicine at Mount Sinai often interact with pharmaceutical, device and biotechnology companies to improve patient care, develop new therapies and achieve scientific breakthroughs. In order to promote an ethical and transparent environment for conducting research, providing clinical care and teaching, Mount Sinai requires that salaried faculty inform the School of their relationships with such companies.
Dr. Mezei did not report having any of the following types of financial relationships with industry during 2012 and/or 2013: consulting, scientific advisory board, industry-sponsored lectures, service on Board of Directors, participation on industry-sponsored committees, equity ownership valued at greater than 5% of a publicly traded company or any value in a privately held company. Please note that this information may differ from information posted on corporate sites due to timing or classification differences.
Mount Sinai's faculty policies relating to faculty collaboration with industry are posted on our website at http://icahn.mssm.edu/about-us/services-and-resources/faculty-resources/handbooks-and-policies/faculty-handbook. Patients may wish to ask their physician about the activities they perform for companies.
Icahn Medical Institute Floor 16 Room 75A
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Icahn Medical Institute Floor 16 Room 75A
1425 Madison Avenue
New York, NY 10029