Jonathan S. Mason

Texas Medical Center — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

23h-index2.5kcitations43works2.02yr avg
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Research Topics

Receptor Mechanisms and Signaling(24), Neuropeptides and Animal Physiology(14), Adenosine and Purinergic Signaling(13), Chemical Synthesis and Analysis(10), Computational Drug Discovery Methods(7)

Publications43 total

CURRENT PHYSICIAN KNOWLEDGE OF THE THERAPEUTIC USE EXEMPTIONS (TUE)
Medicine & Science in Sports & Exercise·2025
Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design
Nature Communications·2025· 6 citedOpen Access
Modern hit-finding with structure-guided de novo design: identification of novel nanomolar adenosine A2A receptor ligands using reinforcement learning
2024· 1 citedOpen Access
Modern hit-finding with structure-guided de novo design: identification of novel nanomolar A2A receptor ligands using reinforcement learning
2024· 1 citedOpen Access
X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A<sub>2A</sub> Adenosine Receptor Antagonists
Angewandte Chemie International Edition·2020· 32 citedOpen Access
X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A <sub>2A</sub> Adenosine Receptor Antagonists
Angewandte Chemie·2020Open Access
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation
Journal of Chemical Information and Modeling·2020· 82 cited
Impact of Recently Determined Crystallographic Structures of GPCRs on Drug Discovery
2020· 2 cited
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
2019· 4 citedOpen Access
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
2019Open Access
Understanding Ligand Binding Selectivity in a Prototypical GPCR Family
Journal of Chemical Information and Modeling·2019· 40 citedOpen Access
Analysis of tractable allosteric sites in G protein-coupled receptors
Scientific Reports·2019· 44 citedOpen Access
Molecular Dynamics Applications to <scp>GPCR</scp> Ligand Design
Methods and principles in medicinal chemistry·2018
Abstract 3751: Inhibition of A2AR by AZD4635 induces anti-tumor immunity alone and in combination with anti-PD-L1 in preclinical models
Cancer Research·2018· 12 cited
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 Structures
Journal of Medicinal Chemistry·2018· 91 cited
Methodologies for the Examination of Water in GPCRs
Methods in molecular biology·2017· 6 cited
Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics
In Silico Pharmacology·2017· 21 citedOpen Access
Erratum: Corrigendum: Crystal structure of the GLP-1 receptor bound to a peptide agonist
Nature·2017· 3 citedOpen Access
Abstract 5580: Preclinical pharmacodynamics and antitumor activity of AZD4635, a novel adenosine 2A receptor inhibitor that reverses adenosine mediated T cell suppression
Cancer Research·2017· 23 cited
Intracellular allosteric antagonism of the CCR9 receptor
Nature·2016· 270 cited
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Frequent Co-authors

Miles Congreve(16), Francesca Deflorian(15), Fiona H. Marshall(13), Andrea Bortolato(12), Chris de Graaf(10), Roger Cooke(8), A.S. Dore(7), Benjamin G. Tehan(7), Andrei Zhukov(6), Stephen P. Andrews(5), Malcolm Weir(5), James C. Errey(5), Willem Jespers(4), Grégory Verdon(4), Jhonny Azuaje(4), Henrik Keränen(4), Xerardo García‐Mera(4), Johan Åqvist(4), Eddy Sotelo(4), Hugo Gutiérrez‐de‐Terán(4)