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Vijaya Kumar Hinge

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2010 – 2019

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2019
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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. J. Comput. Aided Mol. Des. 33(6): 605-611 (2019)
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Vijaya Kumar Hinge, Nikolay Blinov, Dipankar Roy, David S. 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. J. Comput. Aided Mol. Des. 33(10): 913-926 (2019)
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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. J. Comput. Aided Mol. Des. 33(11): 965-971 (2019)

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