Publications

Group highlights

(For a full list see below or go to Google Scholar.)

cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach

M. Benton, M. Furr, V. Govind Kumar, A. Polasa, F. Gao, C-D Heyes, T-K Suresh Kumar, M. Moradi

J.Chem. Inf. Model, vol. 63, pp. 4125–4137, 2023

Developing a Rational Approach to Designing Recombinant Proteins for Peptide-Directed Nanoparticle Synthesis

A. Polasa, I. Mosleh, J. Losey, A. Abbaspourrad, R. Beitle and M. Moradi

Nanoscale Adv, vol. 4, pp. 3161–3171, 2022

Ins and Outs of Rocker Switch Mechanism in Major Facilitator Superfamily of Transporters

S. Sauve, J.Williamson, A. Polasa and M. Moradi

Membranes, vol. 13, pp. 462-479, 2023

Prefusion Spike Protein Conformational Changes Are Slower in SARS-CoV-2 than in SARS-CoV-1.

V. Govind. Kumar, D. S. Ogden, U. H. Isu, A. Polasa, J. Losey and M. Moradi

J. Biol. Chem, vol. 298, pp. 1-12, 2022

Full List

2024

  • S Badiee, V Govind Kumar and M Moradi, Molecular dynamics investigation of the influenza hemagglutinin conformational changes in acidic pH The Journal of Physical Chemistry B, 2024.
  • R Zhang , K Jagessar , M Brownd , A Polasa , R Stein , M Moradi ,E Karakas and H Mchaourab. Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling Nature Communications. 15:9055, 2024.
  • A Polasa, S Badiee and M Moradi. Deciphering the Inter-domain Coupling in a Gram-negative Bacterial Membrane Insertase The Journal of Physical Chemistry B, 128:40, 2024.
  • U Isu, A Polasa and M Moradi. Differential Behavior of Conformational Dynamics in Active and Inactive States of Cannabinoid Receptor 1 The Journal of Physical Chemistry B, 128:35, 2024.
  • Yuanyun Ao, Jonathan R. Grover, Levi Gifford, Yang Han, Guohua Zhong, Revansiddha Katte, Wenwei Li, Rajanya Bhattacharjee, Baoshan Zhang, Stephanie Sauve, Wenyi Qin, Dibya Ghimire, Md Anzarul Haque, James Arthos, Mahmoud Moradi, Walther Mothes, Edward A. Lemke, Peter D. Kwong, Gregory B. Melikyan, and Maolin Lu. Bioorthogonal click labeling of an amber-free HIV-1 provirus for in-virus single molecule imaging Cell Chemical Biology, 31:3, 2024.

2023

Preprint

  • S Badiee, J Hettige and M Moradi, Lipid-dependent conformational dynamics of bacterial ATP-binding cassette transporter Sav1866 bioRxiv
  • U Isu, S Badiee, A Polasa, S H Tabari, M Derakhshani-Molayousefi and M Moradi, Cholesterol Dependence of the Conformational Changes in Metabotropic Glutamate Receptor 1 bioRxiv
  • D Ogden and M Moradi, Atomic-level characterization of the conformational transition pathways in SARS-CoV-1 and SARS-CoV-2 spike proteins bioRxiv
  • D Ogden, K Immadisetty, S Sauve, M Moradi, Conformational Transition Pathways in Major Facilitator Superfamily Transporters bioRxiv
  • J-L Losey, M Jauch,A Cortes-Cubero, H Wu, A Polasa, S Sauve, R Rivera, D-S Matteson, M Moradi, Simulating freely-diffusing single-molecule FRET data with consideration of protein conformational dynamics bioRxiv
  • C Goolsby, A Fakharzadeh, M Moradi, Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Framework bioRxiv

2022

  • A Polasa, J Hettige, K Immadisetty, M Moradi, An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations Front. Mol. Biosci., 9 :15, 2022
  • A Polasa, I Mosleh, J Losey, A Abbaspourrad, R Beitle, M Moradi, Developing a Rational Approach to Designing Recombinant Proteins for Peptide-Directed Nanoparticle Synthesis Nanoscale Adv., 4:3171, 2022
  • K Immadisetty, A Polasa, R Shelton, and M Moradi, Elucidating the Molecular Basis of Spontaneous Activation in an Engineered Mechanosensitive Channel. Comput. Struct. Biotechnol. J., 20:2539, 2022.
  • V Govind Kumar, D-S Ogden, U-H Isu, A Polasa, J-L Losey, and M Moradi, Prefusion Spike Protein Conformational Changes Are Slower in SARS-CoV-2 than in SARS-CoV-1. J. Biol. Chem, 298:101814, 2022.
  • H Chen, D Ogden, S Pant, W Cai, E Tajkhorshid, M Moradi, B Roux, and C Chipot, A Companion Guide to the String Method with Swarms of Trajectories: Characterization, Performance, and Pitfalls J. Chem. Theory Comput., 18:1406–1422, 2022.

2021

2019

2018

  • S Burgin, J Oramous, M Kaminski, L Stocker, and M Moradi, High School Biology Students Use of VMD as an Authentic Tool for Learning about Modeling as a Professional Scientific Practice. Biochem. Mol. Biol. Educ, 46:230-236, 2018.
  • M Kiaei, M Balasubramaniam, V Govind Kumar, R J Shmookler Reis, M Moradi, and K I Varughese, ALS-causing mutations in profilin-1 alter its conformational dynamics: A computational approach to explain propensity for aggregation. Sci. Rep., 2018 8:13102, 2018.

2017

  • K Immadisetty, J Hettige, and M Moradi, What Can and Cannot Be Learned from Molecular Dynamics Simulations of Bacterial Proton-Coupled Oligopeptide Transporter GkPOT? J. Phys. Chem. B, 121:3644-3656, 2017.
  • A Singharoy, C Chipot, M Moradi, and K Schulten, Chemomechanical coupling in hexameric protein–protein interfaces harness energy within V–type ATPases. J. Am. Chem. Soc., 139:293-310, 2017.

2016

2015

2014

2013

  • M Moradi and E Tajkhorshid, Mechanistic picture for conformational transition of a membrane transporter at atomic resolution. Proc. Natl. Aca. Sci. USA, 110:18916, 2013.
    UIUCNEWS BUREAU Access the recommendation on F1000Prime
  • M Moradi, and E Tajkhorshid, Driven metadynamics: Reconstructing equilibrium free energies from driven adaptive-bias simulations. J. Phys. Chem. Lett., 4:1882, 2013.
  • M Moradi, V Babin, C Roland, and C Sagui, Reaction path ensemble of B-Z-DNA transition: A Comprehensive atomistic study. Nucleic Acids Res., 41:33, 2013.
  • M Moradi, V Babin, C Sagui, and C Roland, Recipes for free energy calculations in biomolecular systems. In Biomolecular simulations: methods and protocols. Humana Press (Springer), Methods Mol. Biol., 924:313-37, 2013.
  • M Moradi, V Babin, C Roland, and C Sagui, Free energies, structural characteristics, and transition mechanisms of proline-rich peptides. In Proline: Biosynthesis, Regulation and Health Benefits, Nova Publishers, ISBN: 978-1-62257-745-3, 2013.
  • M Kalani, A Moradi, M Moradi, E Tajkhorshid, Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin. Biophys. J., 105:993, 2013.

2009-2012