Arghya Chakravorty

Orcid: 0000-0002-4467-1135

According to our database1, Arghya Chakravorty authored at least 12 papers between 2016 and 2025.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

2016
2017
2018
2019
2020
2021
2022
2023
2024
2025
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4
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PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

2025
On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model.
J. Comput. Chem., 2025

2024
Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules.
J. Chem. Inf. Model., 2024

2021
Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.
J. Comput. Aided Mol. Des., 2021

2020
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi.
J. Chem. Inf. Model., 2020

Entropy of Proteins Using Multiscale Cell Correlation.
J. Chem. Inf. Model., 2020

2019
DelPhi Suite: New Developments and Review of Functionalities.
J. Comput. Chem., 2019

A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry.
J. Comput. Chem., 2019

Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes.
Commun. Inf. Syst., 2019

2017
DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding.
J. Comput. Chem., 2017

Treating ion distribution with Gaussian-based smooth dielectric function in DelPhi.
J. Comput. Chem., 2017

DelPhiForce web server: electrostatic forces and energy calculations and visualization.
Bioinform., 2017

2016
Electrostatic component of binding energy: Interpreting predictions from poisson-boltzmann equation and modeling protocols.
J. Comput. Chem., 2016


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