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Swagata Pahari

PKAD: a database of experimentally measured pKa values of ionizable groups in proteins
2019 · Swagata Pahari, Lexuan Sun, et al. · Database · 174
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SAAMBE-3D: Predicting Effect of Mutations on Protein–Protein Interactions
2020 · Swagata Pahari, Gen Li, et al. · International Journal of Molecular Sciences · 113
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DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate
2018 · Swagata Pahari, Lexuan Sun, et al. · Proteins Structure Function and Bioinformatics · 70
DelPhi Suite: New Developments and Review of Functionalities
2019 · Chuan Li, Zhe Jia, et al. · Journal of Computational Chemistry · 65
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SAAMBE-SEQ: a sequence-based method for predicting mutation effect on protein–protein binding affinity
2020 · Gen Li, Swagata Pahari, et al. · Bioinformatics · 45
Cooperative Catalysis by Surface Lewis Acid/Silanol for Selective Fructose Etherification on Sn-SPP Zeolite
2018 · Tyler R. Josephson, Robert F. DeJaco, et al. · ACS Catalysis · 35
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Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell
2012 · Swagata Pahari, Chandan Kumar Choudhury, et al. · The Journal of Physical Chemistry B · 33
Ethanol and Water Adsorption in Conventional and Hierarchical All-Silica MFI Zeolites
2021 · Swagata Pahari, Matheus Dorneles de Mello, et al. · ACS Physical Chemistry Au · 20
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Modeling electrostatics in molecular biology: A tutorial of DelPhi and associated resources [Article v1.0]
2019 · Shailesh Kumar Panday, Mihiri H. B. Shashikala, et al. · Living Journal of Computational Molecular Science · 15
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
2020 · Arghya Chakravorty, Shailesh Panday, et al. · Journal of Chemical Information and Modeling · 14
Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells
2015 · Swagata Pahari, Sudip Roy · RSC Advances · 9
Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study
2012 · Minal More, Swagata Pahari, et al. · Journal of Molecular Modeling · 9
Proton transport mechanism of imidazole, triazole and phosphoric acid mixtures from ab initio molecular dynamics simulations
2015 · Swagata Pahari, Sudip Roy · Physical Chemistry Chemical Physics · 5
Evidence and characterization of dynamic heterogeneity in binary mixtures of phosphoric acid and benzimidazole
2013 · Swagata Pahari, Sudip Roy · The Journal of Chemical Physics · 4
Kinetic studies on the reaction between [Co(NH3)5N3]Cl2 and ascorbic acid: Effect of surfactant, polymer and their mixture
2010 · Tapas Majumdar, Swagata Pahari, et al. · Journal of Molecular Liquids · 3
From Molecular Architecture to Performance: Structure–Property Correlations in Crosslinked SBR Explored through a Combined Experimental and Molecular Simulation Approach
2026 · Soumyadeep Chowdhury, Swagata Pahari, et al. · Macromolecules · 2
Prediction of Thermodynamic and Viscoelastic Properties of Rubber Using Molecular Simulations
2023 · Swagata Pahari, Prasenjit Ghosh, et al. · SAE technical papers on CD-ROM/SAE technical paper series · 2
Tailoring Thermal Properties of Tire Rubbers: Atomic-scale Insights From Reverse Nonequilibrium Molecular Dynamics Simulations
2025 · Swagata Pahari, Biswanath Guria, et al. · Rubber Chemistry and Technology · 1
Surface-Free Protocol for Computing PKA's (DelPhiPKa): Applications to Protein-Protein Interactions
2019 · Swagata Pahari, Lexuan Sun, et al. · Biophysical Journal · 1
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Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol
2018 · Ashwini A. Deshpande, Arun Torris A. T., et al. · Soft Matter · 1
Influence of Network Architecture on Adsorption Efficiency of Flexible and Rigid Cross-Linked Guar Gum Xerogels for Selective Cationic Dye Removal
2026 · Sonai Dutta, Sayan Basak, et al. · Industrial & Engineering Chemistry Research
Simulating Adsorption and Transport in Hierarchical Zeolites
2019 · J. Ilja Siepmann, Peng Bai, et al. · Bulletin of the American Physical Society
Mechanism for Selective Fructose Etherification on Hierarchical Sn-SPP Zeolite
2017 · Josephson, Tyler R., Ren, Limin, et al. · Maryland Shared Open Access Repository (USMAI Consortium)
Works count: 23
Citation count: 621
H-index: 10
I10-index: 10
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