ProLego: tool for extracting and visualizing topological modules in protein structures. - Taushif Khan; Shailesh Kumar Panday; Indira Ghosh (BMC Bioinform., 2018)

Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes. - Shailesh Kumar Panday; Mihiri H. B. Shashikala; Arghya Chakravorty; Shan Zhao 001; Emil Alexov (Commun. Inf. Syst., 2019)

DelPhi Suite: New Developments and Review of Functionalities. - Chuan Li 003; Zhe Jia; Arghya Chakravorty; Swagata Pahari; Yunhui Peng; Sankar Basu; Mahesh Koirala; Shailesh Kumar Panday; Marharyta Petukh; Lin Li 003; Emil Alexov (J. Comput. Chem., 2019)

Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi. - Arghya Chakravorty; Shailesh Kumar Panday; Swagata Pahari; Shan Zhao 001; Emil Alexov (J. Chem. Inf. Model., 2020)

SAMPDI-3D: predicting the effects of protein and DNA mutations on protein-DNA interactions. - Gen Li; Shailesh Kumar Panday; Yunhui Peng; Emil Alexov (Bioinform., 2021)

On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model. - Shailesh Kumar Panday; Arghya Chakravorty; Shan Zhao 001; Emil Alexov (J. Comput. Chem., 2025)

In Silico Screening for Small Molecules to Alter Calpain Proteolysis through Modulating Conformation Changes Induced by Heterodimerization. - Pitambar Poudel; Ivan Shapovalov; Shailesh Kumar Panday; Kazem Nouri; Peter L. Davies; Peter A. Greer; Emil Alexov (J. Chem. Inf. Model., 2025)