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Open Access

Peer-reviewed

Research Article

A proximity-based in silico approach to identify redox-labile disulfide bonds: The example of FVIII

Andrea Arsiccio ,

Contributed equally to this work with: Andrea Arsiccio, Clive Metcalfe, Carmen Coxon

Roles Conceptualization, Formal analysis, Investigation, Methodology, Writing – review & editing

Affiliation Department of Applied Science and Technology, Politecnico di Torino, Torino, Italy

https://orcid.org/0000-0003-3809-4957

⨯
Clive Metcalfe ,

Contributed equally to this work with: Andrea Arsiccio, Clive Metcalfe, Carmen Coxon

Roles Conceptualization, Formal analysis, Investigation, Methodology, Writing – review & editing

* E-mail: clive.metcalfe@nibsc.org

Affiliation National Institute for Biological Standards and Control, Hertfordshire, United Kingdom
⨯
Roberto Pisano,

Roles Resources

Affiliation Department of Applied Science and Technology, Politecnico di Torino, Torino, Italy
⨯
Sanj Raut,

Roles Resources

Affiliation National Institute for Biological Standards and Control, Hertfordshire, United Kingdom
⨯
Carmen Coxon

Contributed equally to this work with: Andrea Arsiccio, Clive Metcalfe, Carmen Coxon

Roles Conceptualization, Formal analysis, Investigation, Methodology, Project administration, Writing – original draft

Affiliation National Institute for Biological Standards and Control, Hertfordshire, United Kingdom

https://orcid.org/0000-0001-8694-4894

⨯

A proximity-based in silico approach to identify redox-labile disulfide bonds: The example of FVIII

Andrea Arsiccio,
Clive Metcalfe,
Roberto Pisano,
Sanj Raut,
Carmen Coxon

x

Published: February 7, 2022
https://doi.org/10.1371/journal.pone.0262409

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Disulfide bonds
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Cysteine
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Molecular dynamics
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Oxidation-reduction reactions
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Enzyme-linked immunoassays
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Biochemical simulations
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Crystal structure
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Thiols
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