Published in
Royal Society of Chemistry, Chemical Communications, 43(57), p. 5314-5317, 2021
DOI: 10.1039/d1cc01449h
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Influence of charge configuration on substrate binding to SARS-CoV-2 main protease
Journal article published in 2021 by
Natalia Díaz 
,
Dimas Suárez
,
Dimas Suárez
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Abstract
Computer simulations describe the substrate binding ability of two alternative protonation states for the 3CLpro active site.