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Vijaya Kumar Hinge
Vijaya Kumar Hinge
University of Alberta
Solvation
Chemistry
Permeability (electromagnetism)
Computational chemistry
Small molecule
6
Papers
50
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Predicting Blood–Brain Partitioning of Small Molecules Using a Novel Minimalistic Descriptor-Based Approach via the 3D-RISM-KH Molecular Solvation Theory
2019
Dipankar Roy
Vijaya Kumar Hinge
Andriy Kovalenko
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Citations (9)
Prediction of P-glycoprotein inhibitors with machine learning classification models and 3D-RISM-KH theory based solvation energy descriptors
2019
Journal of Computer-aided Molecular Design
Vijaya Kumar Hinge
Dipankar Roy
Andriy Kovalenko
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Citations (3)
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
2019
Journal of Computer-aided Molecular Design
Vijaya Kumar Hinge
Nikolay Blinov
Dipankar Roy
David S. Wishart
Andriy Kovalenko
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Citations (5)
To Pass or Not To Pass: Predicting the Blood–Brain Barrier Permeability with the 3D-RISM-KH Molecular Solvation Theory
2019
Dipankar Roy
Vijaya Kumar Hinge
Andriy Kovalenko
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Citations (14)
Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds
2019
Journal of Computer-aided Molecular Design
Vijaya Kumar Hinge
Dipankar Roy
Andriy Kovalenko
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Citations (4)
Tryptophan 32 mediates SOD1 toxicity in a in vivo motor neuron model of ALS and is a promising target for small molecule therapeutics
2019
Neurobiology of Disease
Michèle G. DuVal
Vijaya Kumar Hinge
Natalie Snyder
Richard Kanyo
Jenna Bratvold
Edward Pokrishevsky
Neil R. Cashman
Nikolay Blinov
Andriy Kovalenko
W. Ted Allison
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Citations (15)
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