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Drug–Target Association Kinetics in Drug Discovery

Trends in biochemical sciences (Amsterdam. Regular ed.), 2019-10, Vol.44 (10), p.861-871

2019

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International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and classification of adenosine receptors--an update

Pharmacological reviews, 2011-03, Vol.63 (1), p.1

2011

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International Union of Basic and Clinical Pharmacology. CXII: Adenosine Receptors: A Further Update

Pharmacological reviews, 2022-04, Vol.74 (2), p.340-372

2022

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Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

Science (American Association for the Advancement of Science), 2012-07, Vol.337 (6091), p.232-236

2012

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Kinetic Aspects of the Interaction between Ligand and G Protein-Coupled Receptor: The Case of the Adenosine Receptors

Chemical reviews, 2017-01, Vol.117 (1), p.38-66

2017

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Medicinal chemistry of P2 and adenosine receptors: Common scaffolds adapted for multiple targets

Biochemical pharmacology, 2021-05, Vol.187, p.114311-114311, Article 114311

2021

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Computational Approaches for De Novo Drug Design: Past, Present, and Future

Methods in molecular biology (Clifton, N.J.), 2021-01, Vol.2190, p.139

2021

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Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength

Journal of medicinal chemistry, 2016-07, Vol.59 (13), p.6470-6479

2016

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Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

Journal of cheminformatics, 2017-08, Vol.9 (1), p.45-45, Article 45

2017

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International Union of Basic and Clinical Pharmacology. LXXXII: Nomenclature and Classification of Hydroxy-carboxylic Acid Receptors (GPR81, GPR109A, and GPR109B)

Pharmacological reviews, 2011-06, Vol.63 (2), p.269

2011

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Human G protein-coupled receptor studies in Saccharomyces cerevisiae

Biochemical pharmacology, 2016-08, Vol.114, p.103-115

2016

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Structure-Based Discovery of Novel Chemotypes for Adenosine A2A Receptor Antagonists

Journal of medicinal chemistry, 2010-02, Vol.53 (4), p.1799-1809

2010

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Molecular Basis of Ligand Dissociation from the Adenosine A2A Receptor

Molecular pharmacology, 2016-05, Vol.89 (5), p.485-491

2016

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Indanes-Properties, Preparation, and Presence in Ligands for G Protein Coupled Receptors

Medicinal research reviews, 2015-11, Vol.35 (6), p.1097-1126

2015

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Structure-based identification of OATP1B1/3 inhibitors

Molecular pharmacology, 2013-06, Vol.83 (6), p.1257-1267

2013

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Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A2A Adenosine Receptor

Journal of chemical information and modeling, 2013-10, Vol.53 (10), p.2701-2714

2013

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The Role of a Sodium Ion Binding Site in the Allosteric Modulation of the A2A Adenosine G Protein-Coupled Receptor

Structure (London), 2013-12, Vol.21 (12), p.2175-2185

2013

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Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP

Scientific reports, 2017-11, Vol.7 (1), p.15307-13, Article 15307

2017

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An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

Journal of cheminformatics, 2019-05, Vol.11 (1), p.1-16, Article 35

2019

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Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities

International journal of molecular sciences, 2024-04, Vol.25 (7), p.3698

2024

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MPP + -Induced Changes in Cellular Impedance as a Measure for Organic Cation Transporter (SLC22A1-3) Activity and Inhibition

International journal of molecular sciences, 2022-01, Vol.23 (3), p.1203

2022

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Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

PLoS computational biology, 2021-11, Vol.17 (11), p.e1009152-e1009152

2021

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Proteochemometrics – recent developments in bioactivity and selectivity modeling

Drug discovery today. Technologies, 2019-12, Vol.32-33, p.89-98

2019

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A new hERG allosteric modulator rescues genetic and drug‐induced long‐QT syndrome phenotypes in cardiomyocytes from isogenic pairs of patient induced pluripotent stem cells

EMBO molecular medicine, 2016-09, Vol.8 (9), p.1065-1081

2016

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Drug–Target Association Kinetics in Drug Discovery

International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and classification of adenosine receptors--an update

International Union of Basic and Clinical Pharmacology. CXII: Adenosine Receptors: A Further Update

Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

Kinetic Aspects of the Interaction between Ligand and G Protein-Coupled Receptor: The Case of the Adenosine Receptors

Medicinal chemistry of P2 and adenosine receptors: Common scaffolds adapted for multiple targets

Computational Approaches for De Novo Drug Design: Past, Present, and Future

Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

International Union of Basic and Clinical Pharmacology. LXXXII: Nomenclature and Classification of Hydroxy-carboxylic Acid Receptors (GPR81, GPR109A, and GPR109B)

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time

Human G protein-coupled receptor studies in Saccharomyces cerevisiae

Structure-Based Discovery of Novel Chemotypes for Adenosine A2A Receptor Antagonists

Molecular Basis of Ligand Dissociation from the Adenosine A2A Receptor

Indanes-Properties, Preparation, and Presence in Ligands for G Protein Coupled Receptors

Structure-based identification of OATP1B1/3 inhibitors

Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A2A Adenosine Receptor

The Role of a Sodium Ion Binding Site in the Allosteric Modulation of the A2A Adenosine G Protein-Coupled Receptor

Reduced hepatitis B and D viral entry using clinically applied drugs as novel inhibitors of the bile acid transporter NTCP

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities

MPP + -Induced Changes in Cellular Impedance as a Measure for Organic Cation Transporter (SLC22A1-3) Activity and Inhibition

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Proteochemometrics – recent developments in bioactivity and selectivity modeling

A new hERG allosteric modulator rescues genetic and drug‐induced long‐QT syndrome phenotypes in cardiomyocytes from isogenic pairs of patient induced pluripotent stem cells

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