Mahmoud MoradiView profile
Professor
Mahmoud Moradi is a Professor of Physical Chemistry at the University of Arkansas, holding the distinguished position of Bruker Analytical Science Professor in the Department of Chemistry & Biochemistry within the College of Arts & Sciences. With a strong background in physics and computational chemistry, he leads the Biomolecular Simulations Lab (BioSimLab) focusing on protein dynamics and membrane transport mechanisms. Education: Ph.D. in Physics from North Carolina State University M.Sc. in Physics from Sharif University of Technology, Iran B.Sc. in Physics from Sharif University of Technology, Iran Postdoctoral Associate at Beckman Institute and Department of Biochemistry, University of Illinois at Urbana-Champaign (2011-2015) Professor Moradi's research centers around two inter-related questions: (i) how do proteins function by changing their conformation and undergoing concerted motions? and (ii) how can we simulate these functionally important conformational changes at an atomic level? His lab develops and employs Molecular Dynamics (MD) based enhanced sampling techniques to tackle both problems. They are particularly interested in the study of large-scale conformational changes of proteins such as those involved in membrane transport and signal transduction. A novel combination of nonequilibrium and equilibrium MD based techniques are employed to reconstruct the slow biomolecular processes such as inward- to outward-facing structural transition of membrane transporters at an atomic level. This research has implications for understanding disease mechanisms at a molecular level and improving computational methodologies for biomedically relevant applications. Professor Moradi's recent publications demonstrate a strong focus on membrane protein dynamics, particularly examining cholesterol-protein interactions, GPCR mechanisms, and membrane transporter functions. His work increasingly integrates experimental and computational approaches, with a notable emphasis on SARS-CoV-2 spike protein dynamics during the pandemic years. The publications consistently apply advanced molecular dynamics techniques to investigate protein conformational changes, with growing applications in drug delivery systems and computational drug design. Scientific Awards: NIH MIRA (R35) Award, 2022-2027 (as PI): Physics-based characterization of functionally relevant protein conformational dynamics NSF I-Corps Award, 2021-2022 (as PI): Physics-Based Binding Affinity Estimator NSF CAREER Award, 2020-2025 (as PI): Riemannian Reformulation of Collective Variable Based Free Energy Calculation Methods NIH R15 Grant, 2020-2023 (as PI): Molecular Characterization of the Influenza Hemagglutinin Mediated Membrane Fusion DOE Grant, 2020-2023 (as co-PI): Protein Targeting to the Chloroplast Thylakoid Membrane NSF HDR Grant, 2019-2022 (as PI): Atomic Level Structural Dynamics in Catalysts Connor Endowed Faculty Fellowship, 2018 Fulbright College Outstanding Researcher Award for 2023/24 academic year Professor Moradi has successfully mentored numerous graduate students through their PhD programs, with recent graduates including Ehsaneh Khodadadi, Shadi Badiee, and Ugochi Isu. His research is supported by substantial grants from NIH, NSF, and DOE, totaling millions of dollars in funding. His NIH MIRA award represents a significant long-term commitment to his research program, while his NSF CAREER award recognizes both research excellence and educational contributions. The Biomolecular Simulations Lab at the University of Arkansas is a vibrant research group that combines computational and experimental approaches to study protein dynamics, maintaining strong collaborations with experimental groups both within the university and at other institutions.
