Dipankar Roy

11PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryStructural properties of condensed matterComputational chemistryPharmaceutical delivery technologiesChemical thermodynamics and energetics
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Publications (11)

|Jan 21, 2023
Revisiting the Use of Quantum Chemical Calculations in LogPoctanol-water Prediction.

Dipankar Roy, Chandan Patel

|Oct 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory.

Dipankar Roy, Andriy Kovalenko

|Jun 24, 2022
Octanol-Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models.

Chandan Patel, Dipankar Roy

|Jun 02, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory.

Dipankar Roy, Andriy Kovalenko

|Jan 04, 2021
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?

Dipankar Roy, Devjyoti Dutta, David S Wishart

|May 12, 2020
Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as Solvent.

Dipankar Roy, Andriy Kovalenko

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Frequent Collaborators

9 joint publications

Andriy Kovalenko

3 joint publications

Vijaya Kumar Hinge

2 joint publications

David S Wishart

2 joint publications

Chandan Patel