E. B. Lenselink

发表

Scanning mutagenesis in a yeast system delineates the role of the NPxxY(x)(5,6)F motif and helix 8 of the adenosine A(2B) receptor in G protein coupling.

A. IJzerman, Rongfang Liu, D. Nahon, 2015, Biochemical pharmacology.

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

P. Prusis, A. Bender, A. IJzerman, 2015 .

Proteochemometric modeling in a Bayesian

A. Bender, T. Malliavin, E. B. Lenselink, 2014 .

Sodium Ion Binding Pocket Mutations and Adenosine A2A Receptor Function

Hugo Gutiérrez-de-Terán, Adriaan P IJzerman, Eelke B Lenselink, 2015, Molecular Pharmacology.

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Adriaan P. IJzerman, 2015 .

Structure-kinetics relationships of Capadenoson derivatives as adenosine A1 receptor agonists.

A. IJzerman, T. Mulder-Krieger, D. Guo, 2015, European journal of medicinal chemistry.

Domains for activation and inactivation in G protein-coupled receptors--a mutational analysis of constitutive activity of the adenosine A2B receptor.

G. V. van Westen, A. IJzerman, C. Müller, 2014, Biochemical pharmacology.

Comprehensive structure-activity-relationship of azaindoles as highly potent FLT3 inhibitors.

H. Overkleeft, A. W. Tuin, G. V. van Westen, 2019, Bioorganic & medicinal chemistry.

Pyrrolone Derivatives as Intracellular Allosteric Modulators for Chemokine Receptors: Selective and Dual-Targeting Inhibitors of CC Chemokine Receptors 1 and 2

A. IJzerman, L. Heitman, J. V. van Veldhoven, 2018, Journal of medicinal chemistry.

Intracellular Receptor Modulation: Novel Approach to Target GPCRs.

A. IJzerman, L. Heitman, T. Handel, 2018, Trends in pharmacological sciences.

Removal of human ether-à-go-go related gene (hERG) K+ channel affinity through rigidity: a case of clofilium analogues.

A. IJzerman, J. Brussee, E. B. Lenselink, 2013, Journal of medicinal chemistry.

Synthesis and evaluation of N-substituted 2-amino-4,5-diarylpyrimidines as selective adenosine A1 receptor antagonists.

A. IJzerman, T. Mulder-Krieger, H. de Vries, 2017, European journal of medicinal chemistry.

Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5

A. IJzerman, L. Heitman, J. V. van Veldhoven, 2019, Journal of medicinal chemistry.

Clavis Aurea? Structure-enabled approaches of identifying and optimizing GPCR ligands

Eelke B. Lenselink, E. B. Lenselink, 2017 .

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

Woody Sherman, Adriaan P. IJzerman, Robert Abel, 2016, ACS omega.

Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge

Pieter F. W. Stouten, Eelke B. Lenselink, P. Stouten, 2021, Journal of Computer-Aided Molecular Design.

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

George Papadatos, Gerard J. P. van Westen, Adriaan P. IJzerman, 2017, bioRxiv.

Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor

Woody Sherman, Adriaan P. IJzerman, Herman van Vlijmen, 2014, J. Chem. Inf. Model..

Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

H. Overkleeft, G. V. van Westen, B. Florea, 2020, Nature Communications.

Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis via SYK activation

H. Overkleeft, G. V. van Westen, B. Florea, 2019, bioRxiv.

A covalent antagonist for the human adenosine A2A receptor

A. IJzerman, L. Heitman, T. Michiels, 2016, Purinergic Signalling.

Drug Discovery Maps, a Machine Learning Model That Visualizes and Predicts Kinome–Inhibitor Interaction Landscapes

Gerard J P van Westen, Antonius P A Janssen, Sebastian H Grimm, 2018, J. Chem. Inf. Model..

Kinetics of human cannabinoid 1 (CB1) receptor antagonists: Structure‐kinetics relationships (SKR) and implications for insurmountable antagonism

A. IJzerman, H. de Vries, L. Heitman, 2017, Biochemical pharmacology.

Structure–Affinity Relationships and Structure–Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists

A. IJzerman, H. de Vries, L. Heitman, 2017, Journal of medicinal chemistry.

In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor

Woody Sherman, Adriaan P. IJzerman, Herman van Vlijmen, 2016, Journal of Computer-Aided Molecular Design.

Chapter 4 Scanning mutagenesis in a yeast system delineates the role of the NPxxY

D. Nahon, E. B. Lenselink, B. Roy, 2016 .

Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening

Gerard J. P. van Westen, Adriaan P. IJzerman, Herman van Vlijmen, 2016, J. Chem. Inf. Model..

Structure–Affinity Relationships and Structure–Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists

A. IJzerman, L. Heitman, J. V. van Veldhoven, 2017, Journal of medicinal chemistry.

Development of Covalent Ligands for G Protein-Coupled Receptors: A Case for the Human Adenosine A3 Receptor

A. IJzerman, L. Heitman, J. V. van Veldhoven, 2019, Journal of medicinal chemistry.

Proteochemometric modeling in a Bayesian framework

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2014, Journal of Cheminformatics.

Discovery and Mapping of an Intracellular Antagonist Binding Site at the Chemokine Receptor CCR2

A. IJzerman, H. de Vries, L. Heitman, 2014, Molecular Pharmacology.

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.

R. Friesner, J. Vendôme, Robert Abel, 2023, Journal of chemical information and modeling.

5'-Substituted Amiloride Derivatives as Allosteric Modulators Binding in the Sodium Ion Pocket of the Adenosine A2A Receptor.

Berend J. H. Huisman, A. IJzerman, D. Guo, 2016, Journal of medicinal chemistry.

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation

Chris de Graaf, Herman van Vlijmen, Jonathan S. Mason, 2020, J. Chem. Inf. Model..

Relative Binding Free Energy Calculations Applied to Protein Homology Models

Daniel Cappel, Woody Sherman, Jun Qi, 2016, J. Chem. Inf. Model..

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling

Daniel S. Murrell, A. Bender, I. Cortés-Ciriano, 2015, BMC Bioinformatics.

A yeast screening method to decipher the interaction between the adenosine A2B receptor and the C-terminus of different G protein α-subunits

A. IJzerman, Rongfang Liu, E. B. Lenselink, 2014, Purinergic Signalling.

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors

Adriaan P IJzerman, Gerard J P van Westen, Lindsey Burggraaff, 2020, J. Chem. Inf. Model..

Getting from A to B—exploring the activation motifs of the class B adhesion G protein‐coupled receptor subfamily G member 4/GPR112

A. IJzerman, T. Schwartz, E. B. Lenselink, 2016, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Chemical genetics strategy to profile kinase target engagement reveals role of FES in neutrophil phagocytosis

H. Overkleeft, G. V. van Westen, B. Florea, 2020, Nature Communications.

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells

J. C. Gómez-Tamayo, G. V. van Westen, U. Norinder, 2023, J. Chem. Inf. Model..

Application of portfolio optimization to drug discovery

Michael T. M. Emmerich, Adriaan P. IJzerman, Iryna Yevseyeva, 2019, Inf. Sci..

Large-Scale Modeling of Sparse Protein Kinase Activity Data

G. V. van Westen, P. Stouten, E. B. Lenselink, 2023, Journal of chemical information and modeling.