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Mahmoud Moradi
Mahmoud Moradi
Department of Chemistry and Biochemistry, University of Arkansas
Verified email at uark.edu - Homepage
Title
Cited by
Cited by
Year
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
1492013
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
1172009
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
1032015
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
822014
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
602013
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
552015
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
492017
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
452010
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
442009
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
372013
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
322013
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
322011
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
302019
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
282017
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
272018
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
232012
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
222018
PPII propensity of multiple-guest amino acids in a proline-rich environment
M Moradi, V Babin, C Sagui, C Roland
The journal of physical chemistry B 115 (26), 8645-8656, 2011
212011
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
202022
Calculating relative transition rates with driven nonequilibrium simulations
M Moradi, C Sagui, C Roland
Chemical Physics Letters 518, 109-113, 2011
202011
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