Dipankar Roy

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 14

Top Venues

Journal of computer-aided molecular design

Molecules (Basel, Switzerland)

The journal of physical chemistry. A

The journal of physical chemistry. B

Research Foundation of CUNY

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Research Foundation of CUNY

United States

Postdoctoral Research Associate :: Chemistry

University of Alberta May 09 2016

Canada

Postdoctoral Trainee :: Mechanical Engineering

Publications

Dipankar Roy, Chandan Patel
Revisiting the Use of Quantum Chemical Calculations in LogP octanol-water Prediction. Molecules (Basel, Switzerland) 28 (2) (2023)
Dipankar Roy, Chandan Patel
Revisiting the Use of Quantum Chemical Calculations in LogP octanol-water Prediction. Molecules (Basel, Switzerland) 28 (2) (2023)
Dipankar Roy, Chandan Patel
Revisiting the Use of Quantum Chemical Calculations in LogP octanol-water Prediction. Molecules (Basel, Switzerland) 28 (2) (2023)
Dipankar Roy, Chandan Patel
Revisiting the Use of Quantum Chemical Calculations in LogP octanol-water Prediction. Molecules (Basel, Switzerland) 28 (2) (2023)
Chandan Patel, Dipankar Roy
Octanol-Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models. The journal of physical chemistry. A 126 (26) (2022)
Dipankar Roy, Andriy Kovalenko
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory. Molecules (Basel, Switzerland) 27 (19) (2022)
Dipankar Roy, Andriy Kovalenko
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory. International journal of molecular sciences 22 (10) (2021)
Dipankar Roy, Devjyoti Dutta, David Scott Wishart, Andriy Kovalenko
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet? Journal of computer-aided molecular design 35 (2) (2021)
Dipankar Roy, Andriy Kovalenko
Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as Solvent. The journal of physical chemistry. B 124 (22) (2020)
Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors. Journal of computer-aided molecular design 33 (11) (2019)
Dipankar Roy, Andriy Kovalenko
Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters. The journal of physical chemistry. A 123 (18) (2019)
Vijaya Kumar Hinge, Dipankar Roy, Andriy Kovalenko
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds. Journal of computer-aided molecular design 33 (6) (2019)
Dipankar Roy, Andriy Kovalenko
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solvent. Journal of computer-aided molecular design 33 (10) (2019)
Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, David Scott Wishart, Andriy Kovalenko
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations. Journal of computer-aided molecular design 33 (10) (2019)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dipankar Roy