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Genes|January 25, 2025
Further Development of SAMPDI-3D: A Machine Learning Method for Predicting Binding Free Energy Changes Caused by Mutations in Either Protein or DNAPrawin Rimal, Shamrat Kumar Paul, Shailesh Kumar Panday, et al.
International Journal of Molecular Sciences|September 13, 2025
CDKL5 Deficiency Disorder: Revealing the Molecular Mechanism of Pathogenic VariantsShamrat Kumar Paul, Shailesh Kumar Panday, Luigi Boccuto, et al.
International Journal of Molecular Sciences|August 12, 2023
Predicting the Effect of Single Mutations on Protein Stability and Binding with Respect to Types of MutationsPreeti Pandey, Shailesh Kumar Panday, Prawin Rimal, et al.
Bioinformatics (Oxford, England)|September 6, 2024
SAAMBE-MEM: a sequence-based method for predicting binding free energy change upon mutation in membrane protein-protein complexesPrawin Rimal, Shailesh Kumar Panday, Wang Xu, et al.
ACS Omega|April 13, 2022
Protein-Protein Binding Free Energy Predictions with the MM/PBSA Approach Complemented with the Gaussian-Based Method for Entropy EstimationShailesh Kumar Panday, Emil Alexov
Protein Science : a Publication of the Protein Society|June 19, 2026
From extracellular entry to intracellular release: A water-assisted transport cycle for creatine in SLC6A8Pitambar Poudel, Shailesh Kumar Panday, Emil Alexov
International Journal of Molecular Sciences|January 13, 2021
SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic StabilityGen Li, Shailesh Kumar Panday, Emil Alexov
Journal of Chemical Information and Modeling|December 24, 2025
Accurate and Scalable Continuum Electrostatics for Large Biomolecular Systems: The <i>pyDelPhi</i> Poisson-Boltzmann FrameworkShailesh Kumar Panday, Shan Zhao, Emil Alexov
Bioinformatics (Oxford, England)|August 3, 2021
SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactionsGen Li, Shailesh Kumar Panday, Yunhui Peng, et al.
Journal of Computational Chemistry|October 30, 2024
On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann modelShailesh Kumar Panday, Arghya Chakravorty, Shan Zhao, et al.
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