Arghya Chakravorty

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 11

Top Topics

Arabidopsis Thaliana

Protein Complexes

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Arghya Chakravorty, Azam Hussain, Luis F. Cervantes, Thanh T. Lai, Charles L. Brooks III
Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules. J. Chem. Inf. Model. 64 (10) (2024)
Hafiz Saqib Ali, Arghya Chakravorty, Jas Kalayan, Sam P. de Visser, Richard H. Henchman
Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge. J. Comput. Aided Mol. Des. 35 (8) (2021)
Arghya Chakravorty, Jonathan Higham, Richard H. Henchman
Entropy of Proteins Using Multiscale Cell Correlation. J. Chem. Inf. Model. 60 (11) (2020)
Arghya Chakravorty, Shailesh Kumar Panday, Swagata Pahari, Shan Zhao, Emil Alexov
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi. J. Chem. Inf. Model. 60 (4) (2020)
Chuan Li, Zhe Jia, Arghya Chakravorty, Swagata Pahari, Yunhui Peng, Sankar Basu, Mahesh Koirala, Shailesh Kumar Panday, Marharyta Petukh, Lin Li, Emil Alexov
DelPhi Suite: New Developments and Review of Functionalities. J. Comput. Chem. 40 (28) (2019)
Shailesh Kumar Panday, Mihiri H. B. Shashikala, Arghya Chakravorty, Shan Zhao, Emil Alexov
Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes. Commun. Inf. Syst. 19 (4) (2019)
Arghya Chakravorty, Emilio Gallicchio, Emil Alexov
A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry. J. Comput. Chem. 40 (12) (2019)
Lin Li, Arghya Chakravorty, Emil Alexov
DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding. J. Comput. Chem. 38 (9) (2017)
Zhe Jia, Lin Li, Arghya Chakravorty, Emil Alexov
Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi. J. Comput. Chem. 38 (22) (2017)
Lin Li, Zhe Jia, Yunhui Peng, Arghya Chakravorty, Lexuan Sun, Emil Alexov
DelPhiForce web server: electrostatic forces and energy calculations and visualization. Bioinform. 33 (22) (2017)
Arghya Chakravorty, Lin Li, Emil Alexov
Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols. J. Comput. Chem. 37 (28) (2016)