Arghya Chakravorty

Orcid: 0000-0002-4467-1135

According to our database1, Arghya Chakravorty authored at least 11 papers between 2016 and 2024.

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

Timeline

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Bibliography

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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