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Jonathan S Mason

Showing results (21-30 of 34) with videos related to

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Journal of Chemical Information and Modeling|June 17, 2020
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy PerturbationFrancesca Deflorian, Laura Perez-Benito, Eelke B Lenselink, et al.
Journal of Medicinal Chemistry|September 20, 2016
Identification of Ligand Binding Hot Spots of the Histamine H<sub>1</sub> Receptor following Structure-Based Fragment OptimizationSebastiaan Kuhne, Albert J Kooistra, Reggie Bosma, et al.
Journal of Medicinal Chemistry|January 19, 2012
Identification of novel adenosine A(2A) receptor antagonists by virtual screeningChristopher J Langmead, Stephen P Andrews, Miles Congreve, et al.
Journal of Molecular Graphics & Modelling|June 12, 2003
Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for successAndrew C Good, Daniel L Cheney, Doree F Sitkoff, et al.
Journal of Medicinal Chemistry|January 7, 2012
Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug designMiles Congreve, Stephen P Andrews, Andrew S Doré, et al.
Nature|December 8, 2016
Intracellular allosteric antagonism of the CCR9 receptorChristine Oswald, Mathieu Rappas, James Kean, et al.
Journal of Medicinal Chemistry|February 20, 2018
Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu<sub>5</sub>) X-ray StructuresJohn A Christopher, Zoltán Orgován, Miles Congreve, et al.
Nature Communications|July 1, 2025
Identification of nanomolar adenosine A<sub>2A</sub> receptor ligands using reinforcement learning and structure-based drug designMorgan Thomas, Pierre G Matricon, Robert J Gillespie, et al.
Angewandte Chemie (International Ed. in English)|June 17, 2020
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A<sub>2A</sub> Adenosine Receptor AntagonistsWillem Jespers, Grégory Verdon, Jhonny Azuaje, et al.
Journal of Medicinal Chemistry|June 20, 2020
Structure-Based Drug Discovery of <i>N</i>-((<i>R</i>)-3-(7-Methyl-1<i>H</i>-indazol-5-yl)-1-oxo-1-(((<i>S</i>)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-<i>d</i>][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of MigraineSarah J Bucknell, Mark A Ator, Alastair J H Brown, et al.
Pageof 4

Showing results (21-30 of 34) with videos related to

Sort By:
Pageof 4
Journal of Chemical Information and Modeling|June 17, 2020
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy PerturbationFrancesca Deflorian, Laura Perez-Benito, Eelke B Lenselink, et al.
Journal of Medicinal Chemistry|September 20, 2016
Identification of Ligand Binding Hot Spots of the Histamine H<sub>1</sub> Receptor following Structure-Based Fragment OptimizationSebastiaan Kuhne, Albert J Kooistra, Reggie Bosma, et al.
Journal of Medicinal Chemistry|January 19, 2012
Identification of novel adenosine A(2A) receptor antagonists by virtual screeningChristopher J Langmead, Stephen P Andrews, Miles Congreve, et al.
Journal of Molecular Graphics & Modelling|June 12, 2003
Analysis and optimization of structure-based virtual screening protocols. 2. Examination of docked ligand orientation sampling methodology: mapping a pharmacophore for successAndrew C Good, Daniel L Cheney, Doree F Sitkoff, et al.
Journal of Medicinal Chemistry|January 7, 2012
Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug designMiles Congreve, Stephen P Andrews, Andrew S Doré, et al.
Nature|December 8, 2016
Intracellular allosteric antagonism of the CCR9 receptorChristine Oswald, Mathieu Rappas, James Kean, et al.
Journal of Medicinal Chemistry|February 20, 2018
Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu<sub>5</sub>) X-ray StructuresJohn A Christopher, Zoltán Orgován, Miles Congreve, et al.
Nature Communications|July 1, 2025
Identification of nanomolar adenosine A<sub>2A</sub> receptor ligands using reinforcement learning and structure-based drug designMorgan Thomas, Pierre G Matricon, Robert J Gillespie, et al.
Angewandte Chemie (International Ed. in English)|June 17, 2020
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A<sub>2A</sub> Adenosine Receptor AntagonistsWillem Jespers, Grégory Verdon, Jhonny Azuaje, et al.
Journal of Medicinal Chemistry|June 20, 2020
Structure-Based Drug Discovery of <i>N</i>-((<i>R</i>)-3-(7-Methyl-1<i>H</i>-indazol-5-yl)-1-oxo-1-(((<i>S</i>)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-<i>d</i>][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of MigraineSarah J Bucknell, Mark A Ator, Alastair J H Brown, et al.
Pageof 4