Publications by authors named "Graeme Robb"

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Automated Adaptive Absolute Binding Free Energy Calculations.
Finlay Clark, Graeme R Robb, Daniel J Cole, Julien Michel

J Chem Theory Comput· September 2024

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Discovery and Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
James M Smith, Bernard Barlaam, David Beattie, Lauren Bradshaw, Ho Man Chan, Graeme R Robb

J Med Chem· August 2024

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Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
Taylor R Quinn, Kathryn A Giblin, Clare Thomson, Jeffrey A Boerth, Gayathri Bommakanti, Graeme R Robb, Kevin J Robbins

J Med Chem· August 2024

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Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
Stephen J Atkinson, Sharan K Bagal, Argyrides Argyrou, Sean Askin, Tony Cheung, Graeme R Robb

J Med Chem· March 2024

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Identification of Novel, Selective Ataxia-Telangiectasia Mutated Kinase Inhibitors with the Ability to Penetrate the Blood-Brain Barrier: The Discovery of AZD1390.
Kurt G Pike, Thomas A Hunt, Bernard Barlaam, David Benstead, Elaine Cadogan, Graeme R Robb

J Med Chem· February 2024

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Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
Adelphe M Mfuh, Jeffrey A Boerth, Gayathri Bommakanti, Christina Chan, Alex J Chinn, Graeme R Robb, Kevin J Robbins

J Med Chem· January 2024

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Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS with Demonstrable CNS Penetration.
Jason G Kettle, Sharan K Bagal, Derek Barratt, Michael S Bodnarchuk, Scott Boyd, Graeme R Robb

J Med Chem· July 2023

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Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations.
Finlay Clark, Graeme Robb, Daniel J Cole, Julien Michel

J Chem Theory Comput· June 2023

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Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Iain A Cumming, Sébastien L Degorce, Anna Aagaard, Erin L Braybrooke, Nichola L Davies, Graeme R Robb

Bioorg Med Chem· June 2022

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Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS.
Jason G Kettle, Sharan K Bagal, Sue Bickerton, Michael S Bodnarchuk, Scott Boyd, Graeme Robb

J Med Chem· May 2022

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Fragment-Based Design of a Potent MAT2a Inhibitor and Evaluation in an MTAP Null Xenograft Model.
Claudia De Fusco, Marianne Schimpl, Ulf Börjesson, Tony Cheung, Iain Collie, Graeme Robb

J Med Chem· May 2021

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Drugging the undruggable: a computational chemist's view of KRAS.
Michael S Bodnarchuk, Doyle J Cassar, Jason G Kettle, Graeme Robb, Richard A Ward

RSC Med Chem· April 2021

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Correction to "Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles".
Amber Y S Balazs, Rodrigo J Carbajo, Nichola L Davies, Yu Dong, Alexander W Hird, Graeme R Robb

J Med Chem· March 2021

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Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Sébastien L Degorce, Anna Aagaard, Rana Anjum, Iain A Cumming, Coura R Diène, Graeme R Robb

Bioorg Med Chem· December 2020

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Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRAS.
Jason G Kettle, Sharan K Bagal, Sue Bickerton, Michael S Bodnarchuk, Jason Breed, Graeme Robb

J Med Chem· May 2020

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Free Ligand 1D NMR Conformational Signatures To Enhance Structure Based Drug Design of a Mcl-1 Inhibitor (AZD5991) and Other Synthetic Macrocycles.
Amber Y S Balazs, Rodrigo J Carbajo, Nichola L Davies, Yu Dong, Alexander W Hird, Graeme R Robb

J Med Chem· November 2019

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Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88 Mutant Diffuse Large B Cell Lymphoma.
Sébastien L Degorce, Rana Anjum, Andrew Bloecher, Rodrigo J Carbajo, Keith S Dillman, Graeme R Robb

J Med Chem· November 2019

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Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
William McCoull, Tony Cheung, Erica Anderson, Peter Barton, Jonathan Burgess, Graeme R Robb

ACS Chem Biol· November 2018

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Discovery of a Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent, and Selective ATM Inhibitors.
Bernard Barlaam, Elaine Cadogan, Andrew Campbell, Nicola Colclough, Allan Dishington, Graeme Robb

ACS Med Chem Lett· August 2018

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The Identification of Potent, Selective, and Orally Available Inhibitors of Ataxia Telangiectasia Mutated (ATM) Kinase: The Discovery of AZD0156 (8-{6-[3-(Dimethylamino)propoxy]pyridin-3-yl}-3-methyl-1-(tetrahydro-2 H-pyran-4-yl)-1,3-dihydro-2 H-imidazo[4,5- c]quinolin-2-one).
Kurt G Pike, Bernard Barlaam, Elaine Cadogan, Andrew Campbell, Yingxue Chen, Graeme Robb

J Med Chem· May 2018

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Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).
Christian Kramer, Attilla Ting, Hao Zheng, Jérôme Hert, Torsten Schindler, Graeme Robb

J Med Chem· April 2018

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Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Sébastien L Degorce, Rana Anjum, Keith S Dillman, Lisa Drew, Sam D Groombridge, Graeme R Robb

Bioorg Med Chem· February 2018

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Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88 Diffuse Large B-Cell Lymphoma.
James S Scott, Sébastien L Degorce, Rana Anjum, Janet Culshaw, Robert D M Davies, Graeme R Robb

J Med Chem· December 2017

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Correction to Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
William McCoull, Roman D Abrams, Erica Anderson, Kevin Blades, Peter Barton, Graeme R Robb

J Med Chem· July 2017

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Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
William McCoull, Roman D Abrams, Erica Anderson, Kevin Blades, Peter Barton, Graeme R Robb

J Med Chem· May 2017

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