Chris de Graaf
Orcid: 0000-0002-1226-2150
According to our database1,
Chris de Graaf
authored at least 16 papers
between 2010 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2023
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks.
PLoS Comput. Biol., 2023
2022
J. Chem. Inf. Model., 2022
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation.
J. Cheminformatics, 2022
2021
Nucleic Acids Res., 2021
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.
J. Cheminformatics, 2021
2020
J. Chem. Inf. Model., 2020
2019
J. Chem. Inf. Model., 2019
2017
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine.
J. Chem. Inf. Model., 2017
2016
2015
Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT<sub>3</sub>A, Histamine H<sub>1</sub>, and Histamine H<sub>4</sub> Receptors.
J. Chem. Inf. Model., 2015
Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs.
J. Chem. Inf. Model., 2015
Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
J. Chem. Inf. Model., 2015
2012
Virtual Fragment Screening: Discovery of Histamine H<sub>3</sub> Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints.
J. Chem. Inf. Model., 2012
2011
J. Chem. Inf. Model., 2011
2010
Electron Density Fingerprints (EDprints): Virtual Screening Using Assembled Information of Electron Density.
J. Chem. Inf. Model., 2010