| Mechanistic picture for conformational transition of a membrane transporter at atomic resolution M Moradi, E Tajkhorshid Proceedings of the National Academy of Sciences 110 (47), 18916-18921, 2013 | 159 | 2013 |
| TCR meta-clonotypes for biomarker discovery with tcrdist3 enabled identification of public, HLA-restricted clusters of SARS-CoV-2 TCRs K Mayer-Blackwell, S Schattgen, L Cohen-Lavi, JC Crawford, A Souquette, ... Elife 10, e68605, 2021 | 126 | 2021 |
| Conformations and free energy landscapes of polyproline peptides M Moradi, V Babin, C Roland, TA Darden, C Sagui Proceedings of the National Academy of Sciences 106 (49), 20746-20751, 2009 | 125 | 2009 |
| Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate: phosphate antiporter M Moradi, G Enkavi, E Tajkhorshid Nature communications 6 (1), 8393, 2015 | 104 | 2015 |
| Computational recipe for efficient description of large-scale conformational changes in biomolecular systems M Moradi, E Tajkhorshid Journal of Chemical Theory and Computation 10 (7), 2866-2880, 2014 | 83 | 2014 |
| Reaction path ensemble of the B–Z-DNA transition: a comprehensive atomistic study M Moradi, V Babin, C Roland, C Sagui Nucleic Acids Research 41 (1), 33-43, 2013 | 61 | 2013 |
| Computational characterization of structural dynamics underlying function in active membrane transporters J Li, PC Wen, M Moradi, E Tajkhorshid Current opinion in structural biology 31, 96-105, 2015 | 56 | 2015 |
| Chemomechanical coupling in hexameric protein–protein interfaces harnesses energy within V-type ATPases A Singharoy, C Chipot, M Moradi, K Schulten Journal of the American Chemical Society 139 (1), 293-310, 2017 | 52 | 2017 |
| Adaptively biased molecular dynamics: An umbrella sampling method with a time‐dependent potential V Babin, V Karpusenka, M Moradi, C Roland, C Sagui International Journal of Quantum Chemistry 109 (15), 3666-3678, 2009 | 49 | 2009 |
| A classical molecular dynamics investigation of the free energy and structure of short polyproline conformers M Moradi, V Babin, C Roland, C Sagui The Journal of chemical physics 133 (12), 2010 | 45 | 2010 |
| Driven metadynamics: Reconstructing equilibrium free energies from driven adaptive-bias simulations M Moradi, E Tajkhorshid The Journal of Physical Chemistry Letters 4 (11), 1882-1887, 2013 | 37 | 2013 |
| Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin MR Kalani, A Moradi, M Moradi, E Tajkhorshid Biophysical journal 105 (4), 993-1003, 2013 | 35 | 2013 |
| Lipid-dependent alternating access mechanism of a bacterial multidrug ABC exporter K Immadisetty, J Hettige, M Moradi ACS Central Science 5 (1), 43-56, 2019 | 33 | 2019 |
| High school biology students use of visual molecular dynamics as an authentic tool for learning about modeling as a professional scientific practice SR Burgin, J Oramous, M Kaminski, L Stocker, M Moradi Biochemistry and Molecular Biology Education 46 (3), 230-236, 2018 | 33 | 2018 |
| A statistical analysis of the PPII propensity of amino acid guests in proline-rich peptides M Moradi, V Babin, C Sagui, C Roland Biophysical journal 100 (4), 1083-1093, 2011 | 33 | 2011 |
| What can and cannot be learned from molecular dynamics simulations of bacterial proton-coupled oligopeptide transporter GkPOT? K Immadisetty, J Hettige, M Moradi The Journal of Physical Chemistry B 121 (15), 3644-3656, 2017 | 27 | 2017 |
| Are long-range structural correlations behind the aggregration phenomena of polyglutamine diseases? M Moradi, V Babin, C Roland, C Sagui PLoS computational biology 8 (4), e1002501, 2012 | 24 | 2012 |
| Binding affinity estimation from restrained umbrella sampling simulations V Govind Kumar, A Polasa, S Agrawal, TKS Kumar, M Moradi Nature Computational Science 3 (1), 59-70, 2023 | 23 | 2023 |
| ALS-causing mutations in profilin-1 alter its conformational dynamics: A computational approach to explain propensity for aggregation M Kiaei, M Balasubramaniam, V Govind Kumar, RJ Shmookler Reis, ... Scientific reports 8 (1), 13102, 2018 | 22 | 2018 |
| Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1 VG Kumar, DS Ogden, UH Isu, A Polasa, J Losey, M Moradi Journal of Biological Chemistry 298 (4), 2022 | 21 | 2022 |
Emad Tajkhorshid, PhDProfessor of Biochemistry and Biophysics, University of IllinoisVerified email at illinois.edu
