Showing results (1-10 of 134) with videos related to
Sort By:
Pageof 14
Molecules (Basel, Switzerland)|October 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation TheoryDipankar Roy, Andriy KovalenkoInternational Journal of Molecular Sciences|June 2, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation TheoryDipankar Roy, Andriy KovalenkoThe Journal of Physical Chemistry. B|May 12, 2020
Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as SolventDipankar Roy, Andriy KovalenkoThe Journal of Physical Chemistry. A|April 18, 2019
Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute ParametersDipankar Roy, Andriy KovalenkoJournal of Computer-Aided Molecular Design|October 23, 2019
Application of the 3D-RISM-KH molecular solvation theory for DMSO as solventDipankar Roy, Andriy KovalenkoThe Journal of Physical Chemistry. B|September 8, 2017
Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right ChoicesDipankar Roy, Nikolay Blinov, Andriy KovalenkoACS Omega|October 25, 2019
To Pass or Not To Pass: Predicting the Blood-Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation TheoryDipankar Roy, Vijaya Kumar Hinge, Andriy KovalenkoJournal of Computer-Aided Molecular Design|May 16, 2019
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compoundsVijaya Kumar Hinge, Dipankar Roy, Andriy KovalenkoJournal of Computer-Aided Molecular Design|November 21, 2019
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptorsVijaya Kumar Hinge, Dipankar Roy, Andriy KovalenkoJournal of Computer-Aided Molecular Design|January 4, 2021
Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet?Dipankar Roy, Devjyoti Dutta, David S Wishart, et al.Pageof 14