DIPANKAR ROY

Employment

• University of Alberta Postdoctoral Trainee
  2016 - Present
• Research Foundation of CUNY Postdoctoral Research Associate

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (19)

• Revisiting the Use of Quantum Chemical Calculations in LogPoctanol-water Prediction
  Molecules 2023 DOI: 10.3390/molecules28020801
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• Multiscale Methods Framework with the 3D-RISM-KH Molecular Solvation Theory for Supramolecular Structures, Nanomaterials, and Biomolecules: Where Are We Going?
  Thermo 2023 DOI: 10.3390/thermo3030023
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• Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory
  Molecules 2022 DOI: 10.3390/molecules27196563
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• Liquid Structures of Chloroethenes from Molecular Simulations and Electronic Structure Calculations
  Fluid Phase Equilibria 2022 DOI: 10.1016/j.fluid.2022.113595
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• Octanol–Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models
  The Journal of Physical Chemistry A 2022 DOI: 10.1021/acs.jpca.2c02172
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• Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory
  International Journal of Molecular Sciences 2021 DOI: 10.3390/ijms22105061
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• Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?
  Journal of Computer-Aided Molecular Design 2021 DOI: 10.1007/s10822-020-00364-4
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• Predicting 1,9-Decadiene−Water Partition Coefficients Using the 3D-RISM-KH Molecular Solvation Theory
  Physchem 2021 DOI: 10.3390/physchem1020015
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• Benchmarking Free Energy Calculations in Liquid Aliphatic Ketone Solvents Using the 3D-RISM-KH Molecular Solvation Theory
  J 2021 DOI: 10.3390/j4040044
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• A Computational Study of Molecular Mechanism of Chloroquine Resistance by Chloroquine Resistance Transporter Protein of Plasmodium falciparum via Molecular Modeling and Molecular Simulations
  Physchem 2021 DOI: 10.3390/physchem1030017
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