Publications by authors named "Stuart A MacGowan"

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LIGYSIS-web: a resource for the analysis of protein-ligand binding sites.
Javier S Utgés, Stuart A MacGowan, Geoffrey J Barton

Nucleic Acids Res· July 2025

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ResMAP-a saturation mutagenesis platform enabling parallel profiling of target-specific resistance-conferring mutations in .
Richard J Wall, Stuart A MacGowan, Irene Hallyburton, Aisha J Syed, Sowmya Ajay Castro

mBio· October 2024

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A unified analysis of evolutionary and population constraint in protein domains highlights structural features and pathogenic sites.
Stuart A MacGowan, Fábio Madeira, Thiago Britto-Borges, Geoffrey J Barton

Commun Biol· April 2024

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Classification of likely functional class for ligand binding sites identified from fragment screening.
Javier S Utgés, Stuart A MacGowan, Callum M Ives, Geoffrey J Barton

Commun Biol· March 2024

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Development of a 2,4-Diaminothiazole Series for the Treatment of Human African Trypanosomiasis Highlights the Importance of Static-Cidal Screening of Analogues.
Laura A T Cleghorn, Richard J Wall, Sébastien Albrecht, Stuart A MacGowan, Suzanne Norval

J Med Chem· July 2023

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Missense variants in human ACE2 strongly affect binding to SARS-CoV-2 Spike providing a mechanism for ACE2 mediated genetic risk in Covid-19: A case study in affinity predictions of interface variants.
Stuart A MacGowan, Michael I Barton, Mikhail Kutuzov, Omer Dushek, P Anton van der Merwe

PLoS Comput Biol· March 2022

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Ankyrin repeats in context with human population variation.
Javier S Utgés, Maxim I Tsenkov, Noah J M Dietrich, Stuart A MacGowan, Geoffrey J Barton

PLoS Comput Biol· August 2021

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Effects of common mutations in the SARS-CoV-2 Spike RBD and its ligand, the human ACE2 receptor on binding affinity and kinetics.
Michael I Barton, Stuart A MacGowan, Mikhail A Kutuzov, Omer Dushek, Geoffrey John Barton

Elife· August 2021

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Disease related single point mutations alter the global dynamics of a tetratricopeptide (TPR) α-solenoid domain.
Salomé Llabrés, Maxim I Tsenkov, Stuart A MacGowan, Geoffrey J Barton, Ulrich Zachariae

J Struct Biol· January 2020

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The Dundee Resource for Sequence Analysis and Structure Prediction.
Stuart A MacGowan, Fábio Madeira, Thiago Britto-Borges, Mateusz Warowny, Alexey Drozdetskiy

Protein Sci· January 2020

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Contribution of bacteriochlorophyll conformation to the distribution of site-energies in the FMO protein.
Stuart A MacGowan, Mathias O Senge

Biochim Biophys Acta· April 2016

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Conformational control of cofactors in nature - the influence of protein-induced macrocycle distortion on the biological function of tetrapyrroles.
Mathias O Senge, Stuart A MacGowan, Jessica M O'Brien

Chem Commun (Camb)· December 2015

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Computational quantification of the physicochemical effects of heme distortion: redox control in the reaction center cytochrome subunit of Blastochloris viridis.
Stuart A MacGowan, Mathias O Senge

Inorg Chem· February 2013

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Conformational control of cofactors in nature--functional tetrapyrrole conformations in the photosynthetic reaction centers of purple bacteria.
Stuart A MacGowan, Mathias O Senge

Chem Commun (Camb)· November 2011

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