Author

Fernanda Duarte

University of OxfordORCID 0000-0002-6062-8209Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Organism:virus· 3 Approach:statistical model· 2 Approach:biophysical modeling· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1 Approach:simulation· 1 Assay:structural biology· 1

Frequent Co-Authors

Christopher John SchofieldiD· 3 shared H. T. Henry ChaniD· 3 shared Adrian John MulhollandiD· 2 shared Claire M. Strain-DamerelliD· 2 shared Martin Austin WalshiD· 2 shared Petra LukacikiD· 2 shared A. Sofia F. OliveiraiD· 1 shared Alessio LodolaiD· 1 shared

Activity by Year

2021-2023 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 39 mutual co-author links

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3 shared papersBioinformatics

Christopher John SchofieldORCID

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3 papers

Recent·Most cited

BiochemistrybioRxivPreprintDec 1, 2023

Substrate recognition and selectivity in SARS-CoV-2 main protease: Unveiling the role of subsite interactions through dynamical nonequilibrium molecular dynamics simulations

H. T. Henry Chan, A. Sofia F. Oliveira, Adrian John Mulholland…·Fernanda Duarte

This study uses dynamical nonequilibrium molecular dynamics simulations to investigate how SARS-CoV-2 main protease dynamically recognizes and responds to substrate binding, revealing key conformational changes and substrate selectivity mechanisms.

5 citations

virusstructural biology

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BioinformaticsRSC Chemical BiologyPeer-reviewedOct 24, 2023

Studies on the selectivity of the SARS-CoV-2 papain-like protease reveal the importance of the P2' proline of the viral polyprotein

H. T. Henry Chan, Lennart Brewitz, Petra Lukacik…·Fernanda Duarte

This study investigates how the P2' proline residue affects SARS-CoV-2 PLpro catalytic efficiency using molecular dynamics and substrate analysis.

10 citations

virusstatistical model

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BioinformaticsChemical SciencePeer-reviewedJan 1, 2021

Discovery of SARS-CoV-2 Mpro Peptide Inhibitors from Modelling Substrate and Ligand Binding

H. T. Henry Chan, Marc A. Moesser, Rebecca K. Walters…·Garrett M. Morris

The paper models SARS-CoV-2 Mpro substrate and ligand binding to identify new inhibitor opportunities through computational analysis of binding interactions.

90 citationstop 1%

virusprotein structure

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