Computational Biophysics and Bioinformatics

I. Shapovalov, P. Rimal, P. Poudel, V. Lewtas, M. Bell, S. K. Panday, B. J. Laight, D. Harper, et al.
Quantification and structure-function analysis of calpain-1 and calpain-2 protease subunit interactions
Journal of Biological Chemistry, 110243, 2025
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P. Poudel, I. Shapovalov, S. K. Panday, K. Nouri, P. L. Davies, P. A. Greer, and E. Alexov
In Silico Screening for Small Molecules to Alter Calpain Proteolysis through Modulating Conformation Changes Induced by Heterodimerization
Journal of Chemical Information and Modeling, 2025
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A. Y. Chen, S. K. Panday, K. Ri, E. Alexov, B. R. Brooks, and A. Damjanovic
PKAD-R: Curated, Redesigned and Expanded Database of Experimental pKa Values in Proteins
Journal of Computational Biophysics and Chemistry, 1–15, 2025
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P. Poudel, M. A. Miteva, and E. Alexov
Strategies for in Silico Drug Discovery to Modulate Macromolecular Interactions Altered by Mutations
Frontiers in Bioscience-Landmark, 30(4), 2025
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P. Turina, M. Petrosino, C. A. E. Sandoval, L. Novak, A. Pasquo, E. Alexov, M. A. Alladin, D. B. Ascher, et al.
Assessing the predicted impact of single amino acid substitutions in MAPK proteins for CAGI6 challenges
Human Genetics, 144(23), 265–280, 2025
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P. Rimal, S. Paul, S. Panday, and E. Alexov
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNA
Genes, 16(1), 101, 2025
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E. Alexov
Approaches Of Computational Biophysics And Chemistry In Molecular Biology
World Scientific, 2025
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M. Koirala and E. Alexov
Dynamics (DFMD) Approach
Approaches Of Computational Biophysics And Chemistry In Molecular Biology, 79, 2025
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Computational Biophysics and Bioinformatics

Professor Emil Alexov Group

2025