Editorial: Peptide-binding GPCRs coming of age

by Antonella Di Pizio, Marcel Bermudez, Chris De Graaf, Ralf Jockers
Published 2023-04-01

MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design

by Morgan Thomas, Noel M. O’Boyle, Andreas Bender, Chris De Graaf
Published 2024-05-01

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

by Morgan Thomas, Noel M. O’Boyle, Andreas Bender, Chris de Graaf
Published 2022-10-01

Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study

by Morgan Thomas, Robert T. Smith, Noel M. O’Boyle, Chris de Graaf, Andreas Bender
Published 2021-05-01

Dynamic tuneable G protein-coupled receptor monomer-dimer populations

by Patricia M. Dijkman, Oliver K. Castell, Alan D. Goddard, Juan C. Munoz-Garcia, Chris de Graaf, Mark I. Wallace, Anthony Watts
Published 2018-04-01

Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening

by Qingtong Zhou, Wanjing Guo, Antao Dai, Xiaoqing Cai, Márton Vass, Chris de Graaf, Wenqing Shui, Suwen Zhao, Dehua Yang, Ming-Wei Wang
Published 2021-06-01

The Viral G Protein-Coupled Receptor ORF74 Hijacks β-Arrestins for Endocytic Trafficking in Response to Human Chemokines.

by Sabrina M de Munnik, Albert J Kooistra, Jody van Offenbeek, Saskia Nijmeijer, Chris de Graaf, Martine J Smit, Rob Leurs, Henry F Vischer
Published 2015-01-01

Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.

by Georgi K Kanev, Yaran Zhang, Albert J Kooistra, Andreas Bender, Rob Leurs, David Bailey, Thomas Würdinger, Chris de Graaf, Iwan J P de Esch, Bart A Westerman
Published 2023-09-01

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

by Sander B. Nabuurs, Jan P.G. Klomp, Rob Leurs, Jacob De Vlieg, Iwan J.P. De Esch, Bas Vroling, Marijn P.A. Sanders, Luc Roumen, Chris De Graaf
Published 2011-09-01

Vanishing white matter: Eukaryotic initiation factor 2B model and the impact of missense mutations

by Inna Slynko, Stephanie Nguyen, Eline M. C. Hamilton, Lisanne E. Wisse, Iwan J. P. deEsch, Chris deGraaf, John B. Bruning, Christopher G. Proud, Truus E. M. Abbink, Marjo S. van derKnaap
Published 2021-03-01