Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols. - Arghya Chakravorty; Lin Li 003; Emil Alexov (J. Comput. Chem., 2016)

DelPhiForce web server: electrostatic forces and energy calculations and visualization. - Lin Li 003; Zhe Jia; Yunhui Peng; Arghya Chakravorty; Lexuan Sun; Emil Alexov (Bioinform., 2017)

Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi. - Zhe Jia; Lin Li 003; Arghya Chakravorty; Emil Alexov (J. Comput. Chem., 2017)

DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding. - Lin Li 003; Arghya Chakravorty; Emil Alexov (J. Comput. Chem., 2017)

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)

A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry. - Arghya Chakravorty; Emilio Gallicchio; Emil Alexov (J. Comput. Chem., 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)

Entropy of Proteins Using Multiscale Cell Correlation. - Arghya Chakravorty; Jonathan Higham; Richard H. Henchman (J. Chem. Inf. Model., 2020)

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)

Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge. - Hafiz Saqib Ali; Arghya Chakravorty; Jas Kalayan; Sam P. de Visser; Richard H. Henchman (J. Comput. Aided Mol. Des., 2021)

Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules. - Arghya Chakravorty; Azam Hussain; Luis F. Cervantes; Thanh T. Lai; Charles L. Brooks III (J. Chem. Inf. Model., 2024)

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)