Ahmad Reza Mehdipour

Assistant professor (EA17)
+32 (0)9 264 65 64
​​​​​Tech Lane Ghent Science Park, Campus Ardoyen
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°025

Research interests

Computational structural biology of membrane protein

Protein-ligand interaction

Protein-lipid interaction

Computational glycobiology

Structured-based drug design



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.



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):

  1. Mehdipour AR#, Hummer G#. Dual nature of human ACE2 glycosylation in binding to SARS-CoV-2 spike. PNAS, 2021, 118, e2100425118. (# Corresponding authors).
  2. 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)  
  3. 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) 
  4. Mehdipour AR, Hummer G. Cardiolipin puts the seal on ATP synthase. PNAS. 2016,113, 8568-8570.
  5. 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)
  6. 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.
  7. Mehdipour AR, Hamidi M. Brain drug targeting: A computational approach for overcoming blood brain barrier. Drug Disc Today. 2009, 14, 1030-1036.
  8. Edarki N, Mehdipour AR, Khoshneviszadeh M, Miri R. Dihydropyridines: evaluation of their current and future pharmacological applications. Drug Disc Today, 2009, 14, 1058-1066.
  9. 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.

A1 Publications



Dissecting the conformational complexity and mechanism of a bacterial heme transporter , D. Wu, A. R. Mehdipour, F. Finke, H. G. Goojani, R. R. Groh, T. M. Grund, T. M. B. Reichhart, R. Zimmermann, S. Welsch, D. Bald, M. Shepherd, G. Hummer, S. Safarian , Nature Chemical Biology , 19,992–1003 , 2023 , IF: 14.8 , 12/418 (Q1)


Force-tuned avidity of spike variant-ACE2 interactions viewed on the single-molecule level , R. Zhu, D. Canena, M. Sikora, M. Klausberger, H. Seferovic, A. R. Mehdipour, L. Hain, E. Laurent, V. Monteil, G. Wirnsberger, R. Wieneke, R. Tampé, N.F. Kienzl, L. Mach, A. Mirazimi, Y. Jin Oh, J.M. Penninger, G. Hummer, P. Hinterdorfer , Nature Communications , 13, 7926 , 2022 , IF: 17.69 , 4/72 [Q1]
Cryo-EM structures of pentameric autoinducer-2 exporter from E. coli reveal its transport mechanism , R. Khera, A. R. Mehdipour, J.R. Bolla, J. Kahnt, S. Welsch, U. Ermler, C. Muenke, C.V. Robinson, G. Hummer, H. Xie, H. Michel , EMBO Journal , 41, 18, e109990 , 2022 , IF: 12.871 , 22/295 [Q1]
Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporter , E. Lambert, A. R. Mehdipour, A. Schmidt, G. Hummer, C. Perez , Nature Communications , Volume 13, issue 1, article number 1022 , 2022 , IF: 15.805 , 4/72 [Q1]

Other Publications

Keynote / Plenary / Invited talks

2022 - 2024

Computational microscopy of substrate binding in lipid transporters , A. R. Mehdipour , 2nd Molecular modelling and simulation workshop , Frankfurt, Germany , do, 15/12/2022
Invited talk
Computational microscopy of membrane proteins: methods and tools , A. R. Mehdipour , EMBO workshop: Membrane Protein Expression, Purification and Characterization (mPEPC2) , Hamburg, Germany , ma, 05/09/2022 t/m ma, 12/09/2022
Invited talk
Molecular dynamics of substrate recognition and transport in lipid transporters , A. R. Mehdipour , 2nd International Transmembrane Transporter Society Meeting , Copenhagen, Denmark , di, 07/06/2022 t/m vr, 10/06/2022