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Aayush Gupta

1PUBLICATIONS

1CO-AUTHORS

Biomolecular modelling and design

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Publications (1)

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|Oct 29, 2020

Profiling SARS-CoV-2 Main Protease (M<sup>PRO</sup>) Binding to Repurposed Drugs Using Molecular Dynamics Simulations in Classical and Neural Network-Trained Force Fields.

Aayush Gupta, Huan-Xiang Zhou

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Huan-Xiang Zhou

Frequent Collaborators

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Huan-Xiang Zhou

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