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Polasa, A., V. Govind Kumar, S. Agrawal, T. K. S. Kumar, and M. Moradi, “Binding Affinity Estimation from Restrained Umbrella Sampling Simulations”. Nat Comput Sci (2022). https://doi.org/10.1038/s43588-022-00389-9

Polasa, A., Hettige, J. J., Immadisetty, K., & Moradi, M. (2022). An investigation of the YidC-mediated membrane insertion of Pf3 coat protein using molecular dynamics simulations. Frontiers in Molecular Biosciences, 9(2296-889X)., https://doi.org/10.3389/fmolb.2022.954262.

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.https://doi.org/10.1039/D2NA00212D

K Immadisetty, A Polasa, R Shelton, and M Moradi, Elucidating the Molecular Basis of Spontaneous Activation in an Engineered Mechanosensitive Channel. Computational and Structural Biotechnology Journal., https://doi.org/https://doi.org/10.1016/j.csbj.2022.05.022

Govind Kumar, V., Ogden, D. S., Isu, U. H., Polasa. A, Losey, J., & Moradi, M. (2022). Prefusion Spike Protein Conformational Changes Are Slower in SARS-CoV-2 than in SARS-CoV-1 Journal of Biological Chemistry., https://doi.org/10.1016/j.jbc.2022.101814

Polasa, A., & Moradi, M. (2022). Towards a purely physics-based computational binding affinity estimation. Nature Computational Science. Nat Comput Sci (2022). , https://doi.org/10.1038/s43588-023-00396-4

Benton, M., Furr, M., Govind Kumar, V.,Polasa, A., Gao, F., Colin David, H., T. K. S. Kumar, & Moradi, M. (2023). cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational Approach Journal of Chemical Information and Modeling (2023) 63 (13), 4125-4137. , DOI: 10.1021/acs.jcim.3c00319