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Unifying Family A GPCR Theories of Activation

Pharmacology & therapeutics (Oxford), 2014-07, Vol.143 (1), p.51-60

2014

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Structures of G protein-coupled receptors reveal new opportunities for drug discovery

Drug discovery today, 2015-11, Vol.20 (11), p.1355-1364

2015

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Progress in Structure Based Drug Design for G Protein-Coupled Receptors

Journal of medicinal chemistry, 2011-07, Vol.54 (13), p.4283-4311

2011

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Crystal structure of the GLP-1 receptor bound to a peptide agonist

Nature (London), 2017-06, Vol.546 (7657), p.254-258

2017

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Structure of Class B GPCRs: new horizons for drug discovery

British journal of pharmacology, 2014-07, Vol.171 (13), p.3132-3145

2014

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Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X‑ray Crystallography and Computational Analysis

Journal of medicinal chemistry, 2020-02, Vol.63 (4), p.1528-1543

2020

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High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields

Journal of chemical information and modeling, 2010-01, Vol.50 (1), p.155-169

2010

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New insights from structural biology into the druggability of G protein-coupled receptors

Trends in pharmacological sciences (Regular ed.), 2012-05, Vol.33 (5), p.249-260

2012

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A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application

Journal of chemical information and modeling, 2007-03, Vol.47 (2), p.279-294

2007

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Intracellular allosteric antagonism of the CCR9 receptor

Nature (London), 2016-12, Vol.540 (7633), p.462-465

2016

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New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures

Journal of medicinal chemistry, 1999-08, Vol.42 (17), p.3251-3264

1999

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Decoding the Role of Water Dynamics in Ligand–Protein Unbinding: CRF1R as a Test Case

Journal of chemical information and modeling, 2015-09, Vol.55 (9), p.1857-1866

2015

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Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

Journal of chemical information and modeling, 2013-07, Vol.53 (7), p.1700-1713

2013

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Water network perturbation in ligand binding: adenosine A(2A) antagonists as a case study

Journal of chemical information and modeling, 2013-07, Vol.53 (7), p.1700-1713

2013

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Understanding Ligand Binding Selectivity in a Prototypical GPCR Family

Journal of chemical information and modeling, 2019-06, Vol.59 (6), p.2830-2836

2019

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Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design

Journal of medicinal chemistry, 2012-03, Vol.55 (5), p.1898

2012

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Analysis of tractable allosteric sites in G protein-coupled receptors

Scientific reports, 2019-04, Vol.9 (1), p.6180-6180, Article 6180

2019

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Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Journal of chemical information and modeling, 2020-11, Vol.60 (11), p.5563-5579

2020

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Global mapping of pharmacological space

Nature biotechnology, 2006-07, Vol.24 (7), p.805-815

2006

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GPCR-Bench: A Benchmarking Set and Practitioners’ Guide for G Protein-Coupled Receptor Docking

Journal of chemical information and modeling, 2016-04, Vol.56 (4), p.642-651

2016

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Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X‑ray Structures

Journal of medicinal chemistry, 2019-01, Vol.62 (1), p.207-222

2019

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Can we rationally design promiscuous drugs?

Current opinion in structural biology, 2006-02, Vol.16 (1), p.127-136

2006

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Biophysical Mapping of the Adenosine A2A Receptor

Journal of medicinal chemistry, 2011-07, Vol.54 (13), p.4312-4323

2011

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Identification of novel adenosine A(2A) receptor antagonists by virtual screening

Journal of medicinal chemistry, 2012-03, Vol.55 (5), p.1904-1909

2012

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X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists

Angewandte Chemie International Edition, 2020-09, Vol.59 (38), p.16536-16543

International ed. in English, 2020

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Unifying Family A GPCR Theories of Activation

Structures of G protein-coupled receptors reveal new opportunities for drug discovery

Progress in Structure Based Drug Design for G Protein-Coupled Receptors

Crystal structure of the GLP-1 receptor bound to a peptide agonist

Structure of Class B GPCRs: new horizons for drug discovery

Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X‑ray Crystallography and Computational Analysis

High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields

New insights from structural biology into the druggability of G protein-coupled receptors

A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application

Intracellular allosteric antagonism of the CCR9 receptor

New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures

Decoding the Role of Water Dynamics in Ligand–Protein Unbinding: CRF1R as a Test Case

Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

Water network perturbation in ligand binding: adenosine A(2A) antagonists as a case study

Understanding Ligand Binding Selectivity in a Prototypical GPCR Family

Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design

Analysis of tractable allosteric sites in G protein-coupled receptors

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Global mapping of pharmacological space

GPCR-Bench: A Benchmarking Set and Practitioners’ Guide for G Protein-Coupled Receptor Docking

Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X‑ray Structures

Can we rationally design promiscuous drugs?

Biophysical Mapping of the Adenosine A2A Receptor

Identification of novel adenosine A(2A) receptor antagonists by virtual screening

X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists

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