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Aayush Gupta
ORCID
Publication Activity (10 Years)
Years Active: 2020-2020
Publications (10 Years): 1
Top Topics
Neural Network
Drug Discovery
Molecular Dynamics Simulations
Respiratory Syndrome Coronavirus
Top Venues
ACS combinatorial science
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This page only lists publications with an associated author ORCID identifier.
Publications
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Aayush Gupta
,
Huan-Xiang Zhou
Profiling SARS-CoV-2 Main Protease (MPRO) Binding to Repurposed Drugs Using Molecular Dynamics Simulations in Classical and Neural Network-Trained Force Fields.
ACS combinatorial science
22 (12) (2020)