Exploring O2 Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site

Open Access

Peer-reviewed

Research Article

Exploring O₂ Diffusion in A-Type Cytochrome c Oxidases: Molecular Dynamics Simulations Uncover Two Alternative Channels towards the Binuclear Site

A. Sofia F. Oliveira,

Affiliation ITQB - Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras, Portugal
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João M. Damas,

Affiliation ITQB - Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras, Portugal
⨯
António M. Baptista,

Affiliation ITQB - Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras, Portugal
⨯
Cláudio M. Soares

* E-mail: claudio@itqb.unl.pt

Affiliation ITQB - Instituto de Tecnologia Química e Biológica António Xavier, Universidade Nova de Lisboa, Oeiras, Portugal
⨯

Free energy
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Biochemical simulations
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Heme
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Protons
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Lipids
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Molecular dynamics
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Xenon
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Point mutation
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