Arghya Chakravorty
Arghya Chakravorty
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DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding
L Li, A Chakravorty, E Alexov
Journal of computational chemistry 38 (9), 584-593, 2017
DelPhi suite: New developments and review of functionalities
C Li, Z Jia, A Chakravorty, S Pahari, Y Peng, S Basu, M Koirala, ...
Journal of computational chemistry 40 (28), 2502-2508, 2019
DelPhiForce web server: electrostatic forces and energy calculations and visualization
L Li, Z Jia, Y Peng, A Chakravorty, L Sun, E Alexov
Bioinformatics 33 (22), 3661-3663, 2017
Treating ion distribution with G aussian‐based smooth dielectric function in DelPhi
Z Jia, L Li, A Chakravorty, E Alexov
Journal of computational chemistry 38 (22), 1974-1979, 2017
Electrostatic component of binding energy: interpreting predictions from poisson–boltzmann equation and modeling protocols
A Chakavorty, L Li, E Alexov
Journal of computational chemistry 37 (28), 2495-2507, 2016
Gaussian-based smooth dielectric function: a surface-free approach for modeling macromolecular binding in solvents
A Chakravorty, Z Jia, Y Peng, N Tajielyato, L Wang, E Alexov
Frontiers in molecular biosciences 5, 25, 2018
A new DelPhi feature for modeling electrostatic potential around proteins: Role of bound ions and implications for zeta-potential
A Chakravorty, Z Jia, L Li, E Alexov
Langmuir 33 (9), 2283-2295, 2017
Reproducing the ensemble average polar solvation energy of a protein from a single structure: gaussian-based smooth dielectric function for macromolecular modeling
A Chakravorty, Z Jia, L Li, S Zhao, E Alexov
Journal of chemical theory and computation 14 (2), 1020-1032, 2018
The HRP3 PWWP domain recognizes the minor groove of double-stranded DNA and recruits HRP3 to chromatin
W Tian, P Yan, N Xu, A Chakravorty, R Liefke, Q Xi, Z Wang
Nucleic acids research 47 (10), 5436-5448, 2019
Modeling electrostatic force in protein-protein recognition
HB Shashikala, A Chakravorty, E Alexov
Frontiers in molecular biosciences 6, 94, 2019
A grid‐based algorithm in conjunction with a gaussian‐based model of atoms for describing molecular geometry
A Chakravorty, E Gallicchio, E Alexov
Journal of computational chemistry 40 (12), 1290-1304, 2019
Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1. 0]
SK Panday, MHB Shashikala, M Koirala, S Pahari, A Chakrvorty, Y Peng, ...
Living Journal of Computational Molecular Science 1 (2), 2019
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
A Chakravorty, S Panday, S Pahari, S Zhao, E Alexov
Journal of chemical information and modeling 60 (4), 2229-2246, 2020
BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics
HB Shashikala, A Chakravorty, SK Panday, E Alexov
International Journal of Molecular Sciences 22 (1), 272, 2021
Entropy of Proteins Using Multiscale Cell Correlation
A Chakravorty, J Higham, RH Henchman
Journal of Chemical Information and Modeling 60 (11), 5540-5551, 2020
Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes
SK Panday, MH Shashikala, A Chakravorty, S Zhao, E Alexov
Communications in Information and Systems 19 (4), 2019
Modeling Electrostatics and Geometrical Quantities in Molecular Biophysics Using a Gaussian-Based Model of Atoms
A Chakravorty
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