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Development of a deep learning-based quantitative structure–activity relationship model to identify potential inhibitors against the 3C-like protease of SARS-CoV-2 - Supplementary material

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posted on 2022-09-30, 09:04 authored by Madhulata Kumari, Naidu Subbarao


Hydrogen bond interaction Plot


6lu7-NPACT106-complex at 0ns


6lu7-NPACT106-complex at 25ns


6lu7-NPACT106-complex at 50ns

 6lu7-NPACT106-complex at 75ns 


6lu7-NSC5159-complex at 0ns


6lu7-NSC5159-complex at 25ns


6lu7-NSC5159-complex at 50ns


6lu7-NSC5159-complex at 75ns


6lu7-NSC5159-complex at 100ns


6lu7-Db8995-complex at 0ns


6lu7-Db8995-complex at 25ns


6lu7-Db8995-complex at 50ns


6lu7-Db8995-complex at 75ns


6lu7-Db8995-complex at 100ns