Match tier
Confirmed
Presence
Current · Arkansas
Last published
2026
Sources
OpenAlex · ORCID
Refreshed
2026-10-09
M
Mahmoud Moradi
Affiliation confirmed via AI analysis of OpenAlex, ORCID, and web sources.
Federal Grant PI
High Impact
Associate Professor
Also affiliated: North Carolina State University (2009–2014); University of Illinois Urbana-Champaign (2012–2015); University of Arkansas System (2018); The University of Texas Health Science Center at Tyler (2024)
22 h-index
192 pubs
1,624 cited
Research Areas
Biomedical Subjects
Links
Biography and Research Information
OverviewAI-generated summary
Mahmoud Moradi's research focuses on the application of molecular dynamics simulations and computational methods to investigate the structure, dynamics, and thermodynamics of biomolecular systems. His work examines the conformational transitions, binding affinities, and free energy landscapes of proteins, peptides, and nucleic acids. Moradi has received federal funding from the National Institutes of Health (NIH) and the National Science Foundation (NSF) for research into physics-based characterization of protein conformational dynamics and the development of computational tools for immunoassay and binding affinity estimation. His h-index is 21 with over 1,600 citations across more than 190 publications.
His research group has explored the atomic-level details of membrane transporter function, the chemomechanical coupling within protein interfaces, and the reaction pathways of DNA transitions. Collaborations within the University of Arkansas at Fayetteville include Adithya Polasa, Vivek Govind Kumar, James Losey, and Shadi A. Badiee, with whom he has co-authored numerous publications. Moradi maintains an active laboratory website to document his research activities.
Metrics
- h-index: 22
- Publications: 192
- Citations: 1,624
Positions
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Associate Professor 2021–presentUniversity of Arkansas Fayetteville Chemistry and Biochemistry ORCID
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Assistant Professor 2015–2021University of Arkansas Fayetteville Chemistry and Biochemistry ORCID
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Postdoc 2011–2015University of Illinois at Urbana-Champaign Beckman Institute ORCID
Selected Publications
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Cholesterol-Dependent Structure and Dynamics of Curved Lipid Vesicles Revealed by Dry MARTINI Simulations (2026)
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Protonation- and substrate-regulated dimer opening couples brain-type creatine kinase to vesicular and actin-remodeling membranes (2026)
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bslgroup/CK_BB: Protonation- and substrate-regulated dimer opening couples brain-type creatine kinase to vesicular and actin-remodeling membranes (2026)
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bslgroup/CK_BB: Protonation- and substrate-regulated dimer opening couples brain-type creatine kinase to vesicular and actin-remodeling membranes (2026)
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Charge reversal in the heparin-binding pocket enhances the stability and activity of the human FGF1 (2026)
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Interplay Between Cholesterol Concentration and Membrane Curvature in Liposomes Revealed by Molecular Dynamics Simulations (2026)
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Convergence is not correctness: context-dependent performance of enhanced-sampling methods across biological complexity (2026)
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Bacterial collagenase harnesses collagen geometry for processive cleavage (2026)
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An Investigation of the Conformational Dynamics of ABC Exporter PCAT1 using Microsecond-Level MD Simulations (2026)
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Characterizing the Conformational Dynamics of an Intrinsically Disordered Localization Sequence (2026)
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Predicting Binding Affinities for the Binding Domain of Hyperpolarization-Activated Cyclic Nucleotide-Gated Channel Isoforms Using Free-Energy Perturbation (2026)
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BPS2026 – Diffusion models for accelerating molecular dynamics: Synthetic trajectory generation and free-energy reconstruction (2026)
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BPS2026 – A Riemannian geometry framework for invariant analysis of molecular simulations (2026)
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BPS2026 – Molecular dynamics insights into lipid-dependent conformational changes of multidrug resistance protein P-glycoprotein (2026)
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BPS2026 - Structural dynamics of sphingosine kinase 1 regulation and inhibition (2026)
Federal Grants 4 $812,081 total
NIH
Contact PI
Sep 2026 - Sep 2027
High-Performance GPU Cluster with NVIDIA RTX 6000 PRO (Blackwell) for Molecular Simulations
NIH
Contact PI
Sep 2022 - Aug 2027
Physics-based characterization of functionally relevant protein conformational dynamics
NSF
PI
Jul 2021 - Dec 2022
NSF
PI
Apr 2025 - Mar 2027
I-Corps: Translation Potential of a Physics-based Computational Tool for Immunoassay Development
Collaboration Network
Top Collaborators
Adithya Polasa
University of Arkansas at Fayetteville
34 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
Showing 5 of 34 shared publications
Vivek Govind Kumar
University of Arkansas at Fayetteville
30 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- ALS-causing mutations in profilin-1 alter its conformational dynamics: A computational approach to explain propensity for aggregation
- The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2
- Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factor
Showing 5 of 30 shared publications
Kalyan Immadisetty
17 shared publications
- Lipid-Dependent Alternating Access Mechanism of a Bacterial Multidrug ABC Exporter
- What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?
- The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel
- An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations
Showing 5 of 17 shared publications
Ugochi H. Isu
University of Arkansas at Fayetteville
16 shared publications
In database
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
- The Alternating Access Mechanism in Mammalian Multidrug Resistance Transporters and Their Bacterial Homologs
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
Showing 5 of 16 shared publications
Shadi A. Badiee
University of Arkansas at Fayetteville
16 shared publications
In database
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
- The Alternating Access Mechanism in Mammalian Multidrug Resistance Transporters and Their Bacterial Homologs
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
- Molecular Dynamics Investigation of the Influenza Hemagglutinin Conformational Changes in Acidic pH
- Deciphering the Inter-domain Decoupling in the Gram-negative Bacterial Membrane Insertase
Showing 5 of 16 shared publications
James Losey
University of Arkansas at Fayetteville
15 shared publications
In database
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Developing a rational approach to designing recombinant proteins for peptide-directed nanoparticle synthesis
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Transient local secondary structure in the intrinsically disordered C-term of the Albino3 insertase
- Addressing the Embeddability Problem in Transition Rate Estimation
Showing 5 of 15 shared publications
Ehsaneh Khodadadi
University of Arkansas at Fayetteville
15 shared publications
In database
- Comprehensive Insights into the Cholesterol-Mediated Modulation of Membrane Function Through Molecular Dynamics Simulations
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
- The Alternating Access Mechanism in Mammalian Multidrug Resistance Transporters and Their Bacterial Homologs
- Molecular Dynamics Simulations of Liposomes: Structure, Dynamics, and Applications
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
Showing 5 of 15 shared publications
Jeevapani J. Hettige
University of Arkansas at Fayetteville
14 shared publications
In database
- Lipid-Dependent Alternating Access Mechanism of a Bacterial Multidrug ABC Exporter
- What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT?
- The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2
- An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations
- An Investigation of the YidC-Mediated Membrane Insertion of Pf3 Coat Protein Using Molecular Dynamics Simulations
Showing 5 of 14 shared publications
Thallapuranam Krishnaswamy Suresh Kumar
University of Arkansas at Fayetteville
13 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factor
- Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin Binding
- Transient local secondary structure in the intrinsically disordered C-term of the Albino3 insertase
- Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin Binding
Showing 5 of 13 shared publications
Ashkan Fakharzadeh
University of Illinois Urbana-Champaign (US)
12 shared publications
- Effective Riemannian Diffusion Model for Conformational Dynamics of Biomolecular Systems
- Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanism
- Addressing the Embeddability Problem in Transition Rate Estimation
- Convergence is not correctness: context-dependent performance of enhanced-sampling methods across biological complexity
- Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Diffusion Formalism
Showing 5 of 12 shared publications
Dylan S. Ogden
University of Arkansas at Fayetteville
12 shared publications
In database
- A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls
- Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1
- Differential Dynamic Behavior of Prefusion Spike Proteins of SARS Coronaviruses 1 and 2
- Molecular Dynamics–Based Thermodynamic and Kinetic Characterization of Membrane Protein Conformational Transitions
- Conformational Transition Pathways in Major Facilitator Superfamily Transporters
Showing 5 of 12 shared publications
Curtis Goolsby
University of Arkansas at Fayetteville
10 shared publications
In database
- Addressing the Embeddability Problem in Transition Rate Estimation
- Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Diffusion Formalism
- Addressing the Embeddability Problem in Transition Rate Estimation
- Overcoming the Embeddability Problem: A More Robust Calculation of Kinetic Information from Sparsely Sampled Molecular Dynamics Simulations
- Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Framework
Showing 5 of 10 shared publications
Mortaza Derakhshani-Molayousefi
University of Arkansas at Fayetteville
10 shared publications
In database
- The effect of cholesterol concentration on planar and spherical lipid bilayers
- Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1
- BPS2025 - Elucidating LasR conformational dynamics: Molecular insights into quorum sensing inhibition in Psedomonas aeruginosa
- Structural dynamics of prefusion spike protein of SARS-CoV-2 and its variants
- Characterizing the roles of chemo-mechanical couplings in the differential behavior of SARS-CoV-1 and SARS-CoV-2 spike glycoprotein
Showing 5 of 10 shared publications
Shilpi Agrawal
University of Arkansas at Fayetteville
9 shared publications
In database
- Binding affinity estimation from restrained umbrella sampling simulations
- Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factor
- Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin Binding
- Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin Binding
- Binding Affinity Estimation from Restrained Umbrella Sampling Simulations
Showing 5 of 9 shared publications
Ehsan Khodadadi
University of Arkansas at Fayetteville
9 shared publications
In database
- Comprehensive Insights into the Cholesterol-Mediated Modulation of Membrane Function Through Molecular Dynamics Simulations
- Molecular Dynamics Simulations of Liposomes: Structure, Dynamics, and Applications
- Integrating Molecular Dynamics Simulations and Single-molecule FRET Spectroscopy: From Computational FRET Estimation to Experimental Data Interpretation
- The effect of cholesterol concentration on planar and spherical lipid bilayers
- BPS2025 - Optimizing liposomal drug delivery systems through cholesterol dynamics: Insights from coarse-grained simulations
Showing 5 of 9 shared publications
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