A. R. Mehdipour
A mindless exploration of the free-energy surface: accelerated Molecular Dynamics and Nested Sampling
Ahmad Reza Mehdipour
Research interests
Computational structural biology of membrane protein
Protein-ligand interaction
Protein-lipid interaction
Computational glycobiology
Structured-based drug design
Biography
Ahmad Reza Mehdipour is a tenure-track assistant professor at the Department of Applied Physics (TW17) and Center for Molecular Modeling (CMM). He is a theoretical biophysicist with a background in pharmacy and computational structural biology. He is also an experienced researcher in various subjects of medicinal chemistry, structural bioinformatics, and computational pharmacology.
Education
2015-2021. Postdoctoral Fellow
Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt, Germany
2010-2015. Ph.D.
Faculty of Chemistry, Biochemistry, and Pharmacy, Goethe University Frankfurt, Germany
Computational Structural Biology Group, Max Planck Institute of Biophysics, Frankfurt, Germany
2000-2007. Pharm.D.
Faculty of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran
Selected publications (non-CMM):
- Mehdipour AR#, Hummer G#. Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike. PNAS, 2021, 118, e2100425118. (# Corresponding authors).
- Hofmann S*, Januliene D*, Mehdipour AR*, Thomas C, Stefan E, Brüchert S, Kuhn BT, Geertsma ER, Hummer G, Tampé R, Moeller A. Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature. 2019, 571, 580-583. (* Sharing first co-authorship)
- Perez C*, Mehdipour AR*, Hummer G, Locher KP. Structure of outward-facing PglK and molecular dynamics of lipid-linked oligosaccharide recognition and translocation. Structure. 2019, 27, 669-678. (* Sharing first co-authorship)
- Mehdipour AR, Hummer G. Cardiolipin puts the seal on ATP synthase. PNAS. 2016,113, 8568-8570.
- Perez C*, Faust B*, Mehdipour AR*, Francesconi KR, Forrest LR, Ziegler C. Substrate bound outward-open state of the symporter BetP: insights into Na+ and substrate coupling. Nat Commun. 2014, 15, 4231. (Sharing first co-authorship)
- Hemmateenejad B, Yousefinejad S, Mehdipour AR. Novel amino acids indices based on quantum topological molecular similarity and their application to QSAR study of peptides. Amino Acids, 2011, 40, 1169-1183.
- Mehdipour AR, Hamidi M. Brain drug targeting: A computational approach for overcoming blood brain barrier. Drug Disc Today. 2009, 14, 1030-1036.
- Edarki N, Mehdipour AR, Khoshneviszadeh M, Miri R. Dihydropyridines: evaluation of their current and future pharmacological applications. Drug Disc Today, 2009, 14, 1058-1066.
- Mehdipour AR, Javidnia K, Hemmateenejad H, Amirghofran Z, Miri R. Dihydropyridine derivatives to overcome atypical multidrug resistance: design, synthesis, QSAR studies and evaluation of their cytotoxic and pharmacological activities. Chem Biol Drug Des, 2007, 70, 337-346.