C. D. Graaf

发表

C(X)CR in silico: Computer-aided prediction of chemokine receptor-ligand interactions.

I. D. de Esch, R. Leurs, C. de Graaf, 2012, Drug discovery today. Technologies.

Pharmacological modulation of chemokine receptor function

R. Leurs, C. de Graaf, H. Vischer, 2012, British journal of pharmacology.

Cytochrome P450-drug interactions: Computational binding mode and affinity predictions in CYP2D6

N. Vermeulen, K. Feenstra, C. Graaf, 2006 .

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

Leigh A. Stoddart, R. Wade, R. Leurs, 2017, Drug discovery today.

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

Georgi K. Kanev, I. D. de Esch, C. de Graaf, 2023, PLoS Comput. Biol..

Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists.

I. D. de Esch, R. Leurs, C. Hoffmann, 2019, European journal of medicinal chemistry.

MINIREVIEW—EXPLORING THE BIOLOGY OF GPCRS: FROM IN VITRO TO IN VIVO

X. Deupí, C. Piscitelli, J. Kean, 2015 .

Detailed analysis of biased histamine H4 receptor signalling by JNJ 7777120 analogues

R. Leurs, H. Vischer, S. Charlton, 2013, British journal of pharmacology.

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

C. D. Graaf, Andreas Bender, Morgan C. Thomas, 2024, J. Cheminformatics.