article · Journal of Computer-Aided Molecular Design

Mechanistic insights into the noncovalent inhibition of SARS-CoV-2 PLpro: a multiscale computational study

Flávio Vinícius da Silva Ribeiro
Jéssica de Oliveira Araújo
Renan Patrick da Penha Valente
Hendrik G. Kruger
José Rogério A. Silva

2026Open accessUniversity of KwaZulu-Natal

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Research topics

Computational Drug Discovery Methods
Pharmacological Receptor Mechanisms and Effects
Protein Structure and Dynamics

Sustainable Development Goals

Affordable and Clean Energy

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DOI: 10.1007/s10822-026-00763-z

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