Publications by authors named "Rory Crean"

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Friends and relatives: insight into conformational regulation from orthologues and evolutionary lineages using KIF and KIN.
Dariia Yehorova, Rory M Crean, Peter M Kasson, Shina Caroline Lynn Kamerlin

Faraday Discuss· September 2024

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Comparing outcomes and cost in surgery versus watch & wait surveillance of patients with rectal cancer post neoadjuvant long course chemoradiotherapy.
Rory Crean, Tamara Glyn, Andrew McCombie, Frank Frizelle

ANZ J Surg· June 2024

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Cooperative Conformational Transitions Underpin the Activation Heat Capacity in the Temperature Dependence of Enzyme Catalysis.
Emma J Walker, Carlin J Hamill, Rory Crean, Michael S Connolly, Annmaree K Warrender

ACS Catal· April 2024

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Key interaction networks: Identifying evolutionarily conserved non-covalent interaction networks across protein families.
Dariia Yehorova, Rory M Crean, Peter M Kasson, Shina C L Kamerlin

Protein Sci· March 2024

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Sequence - dynamics - function relationships in protein tyrosine phosphatases.
Rory M Crean, Marina Corbella, Ana R Calixto, Alvan C Hengge, Shina C L Kamerlin

QRB Discov· January 2024

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Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses.
Andrew Chancellor, Robert Alan Simmons, Rahul C Khanolkar, Vladimir Nosi, Aisha Beshirova, Rory M Crean

J Exp Med· September 2023

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KIF-Key Interactions Finder: A program to identify the key molecular interactions that regulate protein conformational changes.
Rory M Crean, Joanna S G Slusky, Peter M Kasson, Shina Caroline Lynn Kamerlin

J Chem Phys· April 2023

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Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations.
Sebastian Brickel, Andrey O Demkiv, Rory M Crean, Gaspar P Pinto, Shina Caroline Lynn Kamerlin

J Mol Graph Model· March 2023

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Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Ruidan Shen, Rory M Crean, Keith J Olsen, Marina Corbella, Ana R Calixto

Chem Sci· November 2022

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Correction to "Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases".
Rory M Crean, Michal Biler, Marina Corbella, Ana R Calixto, Marc W van der Kamp

J Am Chem Soc· June 2022

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Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase.
Martin Pfeiffer, Rory M Crean, Catia Moreira, Antonietta Parracino, Gustav Oberdorfer

ACS Catal· March 2022

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Reliable Ranking of Engineered Therapeutic TCR Binding Affinities with MMPB/GBSA.
Rory M Crean, Christopher R Pudney, David K Cole, Marc W van der Kamp

J Chem Inf Model· February 2022

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Chemical Mapping Exposes the Importance of Active Site Interactions in Governing the Temperature Dependence of Enzyme Turnover.
Samuel D Winter, Hannah B L Jones, Dora M Răsădean, Rory M Crean, Michael J Danson

ACS Catal· December 2021

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Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Ruidan Shen, Rory M Crean, Sean J Johnson, Shina C L Kamerlin, Alvan C Hengge

JACS Au· May 2021

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Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases.
Rory M Crean, Michal Biler, Marc W van der Kamp, Alvan C Hengge, Shina C L Kamerlin

J Am Chem Soc· March 2021

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Ground-State Destabilization by Active-Site Hydrophobicity Controls the Selectivity of a Cofactor-Free Decarboxylase.
Michal Biler, Rory M Crean, Anna K Schweiger, Robert Kourist, Shina Caroline Lynn Kamerlin

J Am Chem Soc· November 2020

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Peptide cargo tunes a network of correlated motions in human leucocyte antigens.
Jade R Hopkins, Rory M Crean, Dragana A M Catici, Andrew K Sewell, Vickery L Arcus

FEBS J· September 2020

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Molecular Rules Underpinning Enhanced Affinity Binding of Human T Cell Receptors Engineered for Immunotherapy.
Rory M Crean, Bruce J MacLachlan, Florian Madura, Thomas Whalley, Pierre J Rizkallah

Mol Ther Oncolytics· September 2020

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Harnessing Conformational Plasticity to Generate Designer Enzymes.
Rory M Crean, Jasmine M Gardner, Shina C L Kamerlin

J Am Chem Soc· July 2020

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Specificity of bispecific T cell receptors and antibodies targeting peptide-HLA.
Christopher J Holland, Rory M Crean, Johanne M Pentier, Ben de Wet, Angharad Lloyd

J Clin Invest· May 2020

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Exposing the Interplay Between Enzyme Turnover, Protein Dynamics, and the Membrane Environment in Monoamine Oxidase B.
Hannah B L Jones, Rory M Crean, Anna Mullen, Emanuele G Kendrick, Steven D Bull

Biochemistry· May 2019

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