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Dipankar Roy

11PUBLICATIONS

6CO-AUTHORS

Theoretical quantum chemistryStructural properties of condensed matterComputational chemistryPharmaceutical delivery technologiesChemical thermodynamics and energetics

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Publications (11)

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|Jan 21, 2023

Revisiting the Use of Quantum Chemical Calculations in LogP<sub>octanol-water</sub> 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

1 joint publications

Nikolay Blinov

1 joint publications

Devjyoti Dutta

Frequent Collaborators

9 joint publications

Andriy Kovalenko

3 joint publications

Vijaya Kumar Hinge

2 joint publications

David S Wishart

2 joint publications

Chandan Patel

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