Mihaly Mezei, PhD
- ASSOCIATE PROFESSOR | Pharmacological Sciences
Research Topics:
Computer Simulation, Protein Structure/FunctionLaboratory (papers, projects, software)
Multi-Disciplinary Training Areas
Neuroscience [NEU], Pharmacology and Therapeutics Discovery [PTD]Education
PhD, Etvs Lornd University
New York University
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.
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 2021 and/or 2022: 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. Patients may wish to ask their physician about the activities they perform for companies.