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Xinyu Gu

2 results in Authors: Xinyu Gu

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

1,034

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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

1,743

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