Match tier
Confirmed
Presence
Current · Arkansas
Last published
2026
Sources
OpenAlex · ORCID
Refreshed
2026-08-20
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); Shiraz University (2024); The University of Texas Health Science Center at Tyler (2024)
Faculty Researcher
21 h-index
192 pubs
1,570 cited
Research Areas
Biomedical Subjects
Links
Biography and Research Information
OverviewAI-generated summary
Mahmoud Moradi's research focuses on the application of physics-based computational tools, particularly molecular dynamics simulations, to investigate protein conformational dynamics and binding affinities. His work aims to characterize functionally relevant protein dynamics and develop computational tools for applications such as immunoassay development and binding affinity estimation.
Moradi has received federal funding from the National Institutes of Health (NIH) and the National Science Foundation (NSF) for his research. A $363,842 grant from NIH/National Institute of General Medical Sciences supports his work on physics-based characterization of protein conformational dynamics. Additionally, two NSF I-Corps grants, totaling $100,000, are directed towards exploring the translation potential of his computational tools for immunoassay development and as a binding affinity estimator.
His recent publications explore topics including the characterization of protein conformational changes in SARS-CoV-2, the role of cholesterol in G protein-coupled receptors (GPCRs), and the mechanisms of multidrug resistance transporters. He has a publication record of 186 papers with an h-index of 21 and 1,496 citations. Moradi collaborates with researchers at the University of Arkansas at Fayetteville, including Adithya Polasa, Vivek Govind Kumar, James Losey, and Shadi A. Badiee.
Metrics
- h-index: 21
- Publications: 192
- Citations: 1,570
Selected Publications
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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)
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BPS2026 – Deep dynamical network analysis (DDNA): A hybrid deep learning framework for molecular dynamics simulations (2026)
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BPS2026 – Absolute physics-based binding free-energy estimation of antibody-antigen complexes (2026)
Federal Grants 3 $463,842 total
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
18 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 18 shared publications
Vivek Govind Kumar
University of Arkansas at Fayetteville
14 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
- 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
Showing 5 of 14 shared publications
James Losey
University of Arkansas at Fayetteville
9 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
- Transient local secondary structure in the intrinsically disordered C-term of the Albino3 insertase
- Addressing the Embeddability Problem in Transition Rate Estimation
- Computational Elucidation of Recombinant Fusion Protein Effect on Peptide-Directed Nanoparticles
Showing 5 of 9 shared publications
Ugochi H. Isu
University of Arkansas at Fayetteville
8 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
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
- Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1
Showing 5 of 8 shared publications
Shadi A. Badiee
University of Arkansas at Fayetteville
8 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
- Deciphering the Inter-domain Decoupling in the Gram-negative Bacterial Membrane Insertase
- Molecular Dynamics Investigation of the Influenza Hemagglutinin Conformational Changes in Acidic pH
Showing 5 of 8 shared publications
Thallapuranam Krishnaswamy Suresh Kumar
University of Arkansas at Fayetteville
7 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
- Binding Affinity Estimation from Restrained Umbrella Sampling Simulations
Showing 5 of 7 shared publications
Ehsaneh Khodadadi
University of Arkansas at Fayetteville
7 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
- Comprehensive Insights into the Cholesterol-Mediated Modulation of Membrane Function Through Molecular Dynamics Simulations
- Molecular Dynamics Simulations of Liposomes: Structure, Dynamics, and Applications
- Cholesterol in Class C GPCRs: Role, Relevance, and Localization
Showing 5 of 7 shared publications
Dylan S. Ogden
University of Arkansas at Fayetteville
5 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
- Molecular Dynamics–Based Thermodynamic and Kinetic Characterization of Membrane Protein Conformational Transitions
- Differential Dynamic Behavior of Prefusion Spike Glycoproteins of Sars Coronaviruses 1 and 2
- Conformational Transition Pathway of GkPOT
Kalyan Immadisetty
University of Arkansas at Fayetteville (US)
5 shared publications
- 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
- Mechanistic Picture for Chemomechanical Coupling in a Bacterial Proton-Coupled Oligopeptide Transporter from Streptococcus Thermophilus
- An Investigation of the YidC-Mediated Membrane Insertion of Pf3 Coat Protein Using Molecular Dynamics Simulations
- Conformational Transition Pathway of GkPOT
Shilpi Agrawal
University of Arkansas at Fayetteville
5 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
- Binding Affinity Estimation from Restrained Umbrella Sampling Simulations
- Binding Affinity Estimation From Restrained Umbrella Sampling Simulations
Colin D. Heyes
University of Arkansas at Fayetteville
4 shared publications
In database
- Transient local secondary structure in the intrinsically disordered C-term of the Albino3 insertase
- cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach
- An integrative approach to molecular dynamics and single molecule FRET techniques
- Integrating Molecular Dynamics and smFRET Data to Study the Conformational Ensemble of the C-Terminus of Albino3 Protein
Curtis Goolsby
University of Arkansas at Fayetteville
3 shared publications
In database
- Addressing the Embeddability Problem in Transition Rate Estimation
- Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Framework
- Conformational Transition Pathway of GkPOT
Ashkan Fakharzadeh
University of Illinois Urbana-Champaign (US)
3 shared publications
- Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanism
- Addressing the Embeddability Problem in Transition Rate Estimation
- Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Framework
Stephanie Sauve
University of Arkansas at Fayetteville
3 shared publications
In database
- Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters
- Bioorthogonal click labeling of an amber-free HIV-1 provirus for in-virus single molecule imaging
- Simulating freely-diffusing single-molecule FRET data with consideration of protein conformational dynamics
David S. Matteson
Cornell University (US)
3 shared publications
- Addressing the Embeddability Problem in Transition Rate Estimation
- Simulating freely-diffusing single-molecule FRET data with consideration of protein conformational dynamics
- Simulating freely-diffusing single-molecule FRET data with consideration of protein conformational dynamics
Similar Researchers
Based on overlapping research topics
Ugochi H. Isu
University of Arkansas at Fayetteville
Protein Structure and Dynamics
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University of Arkansas at Fayetteville
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