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Journal of Chemical Theory and Computation|November 16, 2020
Application and Comprehensive Analysis of Neighbor Approximated Information Theoretic Configurational Entropy Methods to Protein-Ligand Binding CasesShailesh Kumar Panday, Indira GhoshBMC Bioinformatics|May 6, 2018
ProLego: tool for extracting and visualizing topological modules in protein structuresTaushif Khan, Shailesh Kumar Panday, Indira GhoshACS Medicinal Chemistry Letters|April 19, 2019
Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding SitesShailesh Kumar Panday, Mattia Sturlese, Veronica Salmaso, 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 AlexovProtein 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 AlexovInternational 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 AlexovJournal of Chemical Information and Modeling|December 24, 2025
Accurate and Scalable Continuum Electrostatics for Large Biomolecular Systems: The pyDelPhi Poisson-Boltzmann FrameworkShailesh Kumar Panday, Shan Zhao, Emil AlexovBioinformatics (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.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.Pageof 5