Quantitative prediction of selectivity between the A1 and A2A adenosine receptors

by Lindsey Burggraaff, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
Published 2020-05-01

A3 Adenosine Receptor Allosteric Modulator Induces an Anti-Inflammatory Effect: In Vivo Studies and Molecular Mechanism of Action

by Shira Cohen, Faina Barer, Sara Bar-Yehuda, Adriaan P. IJzerman, Kenneth A. Jacobson, Pnina Fishman
Published 2014-01-01

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

by Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
Published 2019-05-01

Lymphoblast-derived hiPS cell lines generated from four individuals of a family of genetically unrelated parents and their female monozygotic twins

by Marga J Bouma, Christian Freund, Adriaan P IJzerman, Dorret I Boomsma, Christine L Mummery, Karine Raymond
Published 2019-12-01

A study of the dopamine transporter using the TRACT assay, a novel in vitro tool for solute carrier drug discovery

by Hubert J. Sijben, Julie J. E. van den Berg, Jeremy D. Broekhuis, Adriaan P. IJzerman, Laura H. Heitman
Published 2021-01-01

Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data.

by Gerard J P van Westen, Alwin Hendriks, Jörg K Wegner, Adriaan P Ijzerman, Herman W T van Vlijmen, Andreas Bender
Published 2013-01-01

Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling

by Lindsey Burggraaff, Paul Oranje, Robin Gouka, Pieter van der Pijl, Marian Geldof, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen
Published 2019-02-01

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

by Eelke B. Lenselink, Niels ten Dijke, Brandon Bongers, George Papadatos, Herman W. T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J. P. van Westen
Published 2017-08-01

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development.

by Gerard J P van Westen, Jörg K Wegner, Peggy Geluykens, Leen Kwanten, Inge Vereycken, Anik Peeters, Adriaan P Ijzerman, Herman W T van Vlijmen, Andreas Bender
Published 2011-01-01

Label-free high-throughput screening assay for the identification of norepinephrine transporter (NET/SLC6A2) inhibitors

by Hubert J. Sijben, Wieke M. van Oostveen, Peter B. R. Hartog, Laura Stucchi, Andrea Rossignoli, Giovanna Maresca, Lia Scarabottolo, Adriaan P. IJzerman, Laura H. Heitman
Published 2021-06-01

Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition

by Xuesong Wang, Willem Jespers, Rubén Prieto-Díaz, Maria Majellaro, Adriaan P. IJzerman, Gerard J. P. van Westen, Eddy Sotelo, Laura H. Heitman, Hugo Gutiérrez-de-Terán
Published 2021-07-01

A novel CCR2 antagonist inhibits atherogenesis in apoE deficient mice by achieving high receptor occupancy

by Ilze Bot, Natalia V. Ortiz Zacarías, Wilhelmus E. A. de Witte, Henk de Vries, Peter J. van Santbrink, Daniël van der Velden, Mara J. Kröner, Dirk-Jan van der Berg, Dean Stamos, Elizabeth C. M. de Lange, Johan Kuiper, Adriaan P. IJzerman, Laura H. Heitman
Published 2017-03-01

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

by Eelke B. Lenselink, Julien Louvel, Anna F. Forti, Jacobus P. D. van Veldhoven, Henk de Vries, Thea Mulder-Krieger, Fiona M. McRobb, Ana Negri, Joseph Goose, Robert Abel, Herman W. T. van Vlijmen, Lingle Wang, Edward Harder, Woody Sherman, Adriaan P. IJzerman, Thijs Beuming
Published 2016-08-01

An Overview of Cell-Based Assay Platforms for the Solute Carrier Family of Transporters

by Vojtech Dvorak, Tabea Wiedmer, Alvaro Ingles-Prieto, Patrick Altermatt, Helena Batoulis, Felix Bärenz, Eckhard Bender, Daniela Digles, Franz Dürrenberger, Laura H. Heitman, Adriaan P. IJzerman, Douglas B. Kell, Douglas B. Kell, Stefanie Kickinger, Daniel Körzö, Philipp Leippe, Thomas Licher, Vania Manolova, Riccardo Rizzetto, Francesca Sassone, Lia Scarabottolo, Avner Schlessinger, Vanessa Schneider, Hubert J. Sijben, Anna-Lena Steck, Hanna Sundström, Sara Tremolada, Maria Wilhelm, Marina Wright Muelas, Diana Zindel, Claire M. Steppan, Giulio Superti-Furga, Giulio Superti-Furga
Published 2021-08-01