Simulating GTP: Mg and GDP: Mg with a simple force field: A structural and thermodynamic analysis. - Thomas Simonson; Priyadarshi Satpati (J. Comput. Chem., 2013)

Structure-Based Energetics of Stop Codon Recognition by Eukaryotic Release Factor. - Amit Kumar; Debadrita Basu; Priyadarshi Satpati (J. Chem. Inf. Model., 2017)

Mutations in Parkinson's Disease Associated Protein DJ-1 Alter the Energetics of DJ-1 Dimerization. - Abhishek Kumar; Debaditya Mukherjee; Priyadarshi Satpati (J. Chem. Inf. Model., 2019)

Bridging Thermodynamics, Antimicrobial Activity, and pH Sensitivity of Cationic Membranolytic Heptapeptides-A Computational and Experimental Study. - Suvankar Ghosh; Tanumoy Sarkar; Sunanda Chatterjee; Priyadarshi Satpati (J. Chem. Inf. Model., 2023)

Effect of Spacer Length Modification of the Cationic Side Chain on the Energetics of Antimicrobial Peptide Binding to Membrane-Mimetic Bilayers. - Suvankar Ghosh; Sunanda Chatterjee; Priyadarshi Satpati (J. Chem. Inf. Model., 2023)

Why Does the E1219V Mutation Expand T-Rich PAM Recognition in Cas9 from Streptococcus pyogenes? - Shreya Bhattacharya; Priyadarshi Satpati (J. Chem. Inf. Model., 2024)

Energetics of Expanded PAM Readability by Engineered Cas9-NG. - Shreya Bhattacharya; Priyadarshi Satpati (J. Chem. Inf. Model., 2025)