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Arghya Chakravorty

Vellore Institute of Technology

14H-index
37Paper Count
509Citation Count
Published Papers 19
Publication Date
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Development of Silica nanoparticles incorporated in 2D Ti3C2Tx MXene based Electrochemical Sensor for Gatifloxacin Detection
errMicrochemical Journal
IF5.1
err2026-01-01
err0
PREAI
errNevil Pious; Sudip Das; Arghya Chakravorty; Aarcha Appu Mini; George Jacob; Ramesh Rajendran; T. Pazhanivel; Vimala Raghavan
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Small-Molecule FICD Inhibitors Suppress Endogenous and Pathologic FICD-Mediated Protein AMPylation
errACS CHEMICAL BIOLOGY
IF3.8
err2025-03-01
err0
errOAAI
errChatterjee, Bhaskar K.; Alam, Mohammad Maroof; Chakravorty, Arghya; Lacy, Shannon M.; Giblin, William; Rech, Jason; Brooks, Charles L., III; Arvan, Peter; Truttmann, Matthias C.
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On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super-Gaussian Poisson-Boltzmann model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-10-30
err1
errOAAI
errPanday, Shailesh Kumar; Chakravorty, Arghya; Zhao, Shan; Alexov, Emil
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Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-08
err4
PREAI
errChakravorty, Arghya; Hussain, Azam; Cervantes, Luis F.; Lai, Thanh T.; Brooks III, Charles L.
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pyCHARMM: Embedding CHARMM Functionality in a Python Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-02
err15
PREAI
errBuckner, Joshua; Liu, Xiaorong; Chakravorty, Arghya; Wu, Yujin; Cervantes, Luis F. F.; Lai, Thanh T. T.; Brooks, Charles L. L.
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Total free energy analysis of fully hydrated proteins
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2022-08-25
err7
errOAAI
errKalayan, Jas; Chakravorty, Arghya; Warwicker, Jim; Henchman, Richard H.
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Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-07-15
err13
errOAAI
errAli, Hafiz Saqib; Chakravorty, Arghya; Kalayan, Jas; de Visser, Samuel P.; Henchman, Richard H.
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Entropy of Proteins Using Multiscale Cell Correlation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-09-21
err19
errOAAI
errChakravorty, Arghya; Higham, Jonathan; Henchman, Richard H.
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Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-03-10
err13
errOAAI
errChakravorty, Arghya; Panday, Shailesh; Pahari, Swagata; Zhao, Shan; Alexov, Emil
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Modeling Electrostatic Force in Protein-Protein Recognition
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2019-09-25
err32
errOAAI
errShashikala, H. B. Mihiri; Chakravorty, Arghya; Alexov, Emil
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DelPhi Suite: New Developments and Review of Functionalities
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-06-25
err45
errOAAI
errLi, Chuan; Jia, Zhe; Chakravorty, Arghya; Pahari, Swagata; Peng, Yunhui; Basu, Sankar; Koirala, Mahesh; Panday, Shailesh Kumar; Petukh, Marharyta; Li, Lin; Alexov, Emil
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The HRP3 PWWP domain recognizes the minor groove of double-stranded DNA and recruits HRP3 to chromatin
errNUCLEIC ACIDS RESEARCH
IF13.1
err2019-04-24
err23
errOAAI
errTian, Wei; Yan, Peiqiang; Xu, Ning; Chakravorty, Arghya; Liefke, Robert; Xi, Qiaoran; Wang, Zhanxin
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New Method to Determine the Effect of Dimerization on Protein Flexibility from Molecular Dynamics Simulation using Structural Hierarchy
errBIOPHYSICAL JOURNAL
IF3.1
err2019-02-01
err0
errOAAI
errChakravorty, Arghya; Higham, Jonathan; Alexov, Emil; Henchman, Richard H.
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A grid-based algorithm in conjunction with a gaussian-based model of atoms for describing molecular geometry
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-01-30
err3
errOAAI
errChakravorty, Arghya; Gallicchio, Emilio; Alexov, Emil
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Gaussian-Based Smooth Dielectric Function: A Surface-Free Approach for Modeling Macromolecular Binding in Solvents
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2018-03-27
err22
errOAAI
errChakravorty, Arghya; Jia, Zhe; Peng, Yunhui; Tajielyato, Nayere; Wang, Lisi; Alexov, Emil
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errSave
Reproducing the Ensemble Average Polar Solvation Energy of a Protein from a Single Structure: Gaussian-Based Smooth Dielectric Function for Macromolecular Modeling
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-02-03
err21
errOAAI
errChakravorty, Arghya; Jia, Zhe; Li, Lin; Zhao, Shan; Alexov, Emil
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errSave
Treating Ion Distribution with Gaussian-Based Smooth Dielectric Function in DelPhi
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-06-11
err28
errOAAI
errJia, Zhe; Li, Lin; Chakravorty, Arghya; Alexov, Emil
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errSave
A New DelPhi Feature for Modeling Electrostatic Potential around Proteins: Role of Bound Ions and Implications for Zeta-Potential
errLANGMUIR
IF3.9
err2017-02-20
err21
errOAAI
errChakravorty, Arghya; Jia, Zhe; Li, Lin; Alexove, Emil
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DelPhiForce, a Tool for Electrostatic Force Calculations: Applications to Macromolecular Binding
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-01-28
err48
errOAAI
errLi, Lin; Chakravorty, Arghya; Alexov, Emil
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
C
Charles L. Brooks
H-index: 104 · Papers: 675
S
Sam P. de Visser
H-index: 81 · Papers: 419
P
Peter Arvan
H-index: 70 · Papers: 317
E
Emil Alexov
H-index: 58 · Papers: 282
E
Emilio Gallicchio
H-index: 42 · Papers: 128
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