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4 results in Authors: Pratyush Tiwary

Physical Chemistry

Electric Field’s Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined Interfaces

Ruiyu Wang, Pratyush Tiwary

Version 2 posted 20 March 2025

482

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Biological and Medicinal Chemistry

AlphaFold2-RAVE: Protein Ensemble Generation with Physics-Based Sampling

Da Teng, Vanessa J. Meraz, Akashnathan Aranganathan, Xinyu Gu, Pratyush Tiwary

Version 2 posted 21 March 2025

1,017

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Theoretical and Computational Chemistry

Modeling Boltzmann weighted structural ensembles of proteins using AI based methods

Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, Bodhi Vani, Pratyush Tiwary

Version 3 posted 10 January 2025

1,718

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Theoretical and Computational Chemistry

Towards automated physics-based absolute drug residence time predictions

Zachary Smith, Davide Branduardi, Dmitry Lupyan, Giulia D'Arrigo, Pratyush Tiwary, Lingle Wang, Goran Krilov

Version 1 posted 13 February 2025

1,608

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