Mihaly Mezei, PhD
img_Mihaly Mezei
ASSOCIATE PROFESSOR | Pharmacological Sciences
Research Topics
Computer Simulation, Protein Structure/Function
Multi-Disciplinary Training Area
Disease Mechanisms and Therapeutics (DMT), Neuroscience [NEU]
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.

PhD, Etvs Lornd University

New York University

Physicians and scientists on the faculty of the Icahn School of Medicine at Mount Sinai often interact with pharmaceutical, device, biotechnology companies, and other outside entities 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 outside financial relationships.

Dr. Mezei has not yet completed reporting of Industry relationships.

Mount Sinai's faculty policies relating to faculty collaboration with industry are posted on our website. Patients may wish to ask their physician about the activities they perform for companies.