Chris de Graaf (Chris De Graaf)

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Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

Journal of medicinal chemistry

Journal of chemical information and modeling

Molecular genetics & genomic medicine

Heptares Therapeutics

Vrije Universiteit Amsterdam (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Heptares Therapeutics Apr 01 2018

United Kingdom

Director Computational Chemistry

Vrije Universiteit Amsterdam Dec 01 2008 - Mar 31 2018

Netherlands

Ass. Professor :: Division Medicinal Chemistry

Université de Strasbourg Faculté de pharmacie Feb 01 2006 - Dec 01 2008

France

post-doctoral fellow :: Structural Chemogenomics, Laboratoire d'Innovation Therapeutique, UMR7200 CNRS

Education History

Vrije Universiteit Amsterdam Feb 01 2002 - Nov 06 2006

Netherlands

PHD :: Division Molecular Toxicology

Publications

Omolade Otun, Christelle Aljamous, Elise Del Nero, Marta Arimont-Segura, Reggie Bosma, Barbara Zarzycka, Tristan Girbau, Cédric Leyrat, Chris de Graaf, Rob Leurs, Thierry Durroux, Sebastien Granier, Xiaojing Cong, Cherine Bechara
Conformational dynamics underlying atypical chemokine receptor 3 activation. Proceedings of the National Academy of Sciences of the United States of America 121 (30) (2024)
Omolade Otun, Christelle Aljamous, Elise Del Nero, Marta Arimont-Segura, Reggie Bosma, Barbara Zarzycka, Tristan Girbau, Cédric Leyrat, Chris de Graaf, Rob Leurs, Thierry Durroux, Sebastien Granier, Xiaojing Cong, Cherine Bechara
Conformational dynamics underlying atypical chemokine receptor 3 activation. Proceedings of the National Academy of Sciences of the United States of America 121 (30) (2024)
Omolade Otun, Christelle Aljamous, Elise Del Nero, Marta Arimont-Segura, Reggie Bosma, Barbara Zarzycka, Tristan Girbau, Cédric Leyrat, Chris de Graaf, Rob Leurs, Thierry Durroux, Sebastien Granier, Xiaojing Cong, Cherine Bechara
Conformational dynamics underlying atypical chemokine receptor 3 activation. Proceedings of the National Academy of Sciences of the United States of America 121 (30) (2024)
Omolade Otun, Christelle Aljamous, Elise Del Nero, Marta Arimont-Segura, Reggie Bosma, Barbara Zarzycka, Tristan Girbau, Cédric Leyrat, Chris de Graaf, Rob Leurs, Thierry Durroux, Sebastien Granier, Xiaojing Cong, Cherine Bechara
Conformational dynamics underlying atypical chemokine receptor 3 activation. Proceedings of the National Academy of Sciences of the United States of America 121 (30) (2024)
Michail Papadourakis, Gregory D Sinenko, Pierre Matricon, Jérôme Hénin, Grace Brannigan, Laura Pérez-Benito, Vineet Pande, Herman W T van Vlijmen, Chris de Graaf, Francesca Deflorian, Gary John Tresadern, Marco Cecchini, Zoe Cournia
Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of chemical theory and computation (2023)
Qingtong Zhou, Wanjing Guo, Antao Dai, Xiaoqing Cai, Márton Vass, Chris de Graaf, Wenqing Shui, Suwen Zhao, Dehua Yang, Ming-Wei Wang
Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening. Biomolecules 11 (7) (2021)
Inna Slynko, Stephanie Nguyen, Eline M C Hamilton, Lisanne E Wisse, Iwan J P de Esch, Chris de Graaf, John B Bruning, Christopher G Proud, Truus E M Abbink, Marjo S van der Knaap
Vanishing white matter: Eukaryotic initiation factor 2B model and the impact of missense mutations. Molecular genetics & genomic medicine 9 (3) (2021)
Ali Işbilir, Jan Möller, Marta Arimont, Vladimir Bobkov, Cristina Perpiñá-Viciano, Carsten Hoffmann, Asuka Inoue, Raimond Heukers, Chris de Graaf, Martine J Smit, Paolo Annibale, Martin J Lohse
Advanced fluorescence microscopy reveals disruption of dynamic CXCR4 dimerization by subpocket-specific inverse agonists. Proceedings of the National Academy of Sciences of the United States of America 117 (46) (2020)
Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen, Xerardo García-Mera, Miles Congreve, Francesca Deflorian, Chris de Graaf, Andrei Zhukov, Andrew S Doré, Jonathan S Mason, Johan Åqvist, Robert M Cooke, Eddy Sotelo, Hugo Gutiérrez-de-Terán
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists. Angewandte Chemie (International ed. in English) 59 (38) (2020)
Francesca Deflorian, Laura Perez Benito, Eelke B Lenselink, Miles Congreve, Herman W T van Vlijmen, Jonathan S Mason, Chris de Graaf, Gary John Tresadern
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Journal of chemical information and modeling 60 (11) (2020)
Marta Arimont, Carsten Hoffmann, Chris de Graaf, Rob Leurs
Chemokine Receptor Crystal Structures: What Can Be Learned from Them? Molecular pharmacology 96 (6) (2019)
Reggie Bosma, Zhiyong Wang, Albert Jelke Kooistra, Nick Bushby, Sebastiaan Kuhne, Jelle van den Bor, Michael J Waring, Chris de Graaf, Iwan J de Esch, Henry F Vischer, Robert J Sheppard, Maikel Wijtmans, Rob Leurs
Route to Prolonged Residence Time at the Histamine H1 Receptor: Growing from Desloratadine to Rupatadine. Journal of medicinal chemistry 62 (14) (2019)
Antoni R Blaazer, Abhimanyu K Singh, Erik de Heuvel, Ewald Edink, Kristina M Orrling, Johan J N Veerman, Toine van den Bergh, Chimed Jansen, Erin Balasubramaniam, Wouter J Mooij, Hans Custers, Maarten Sijm, Daniel N A Tagoe, Titilola D Kalejaiye, Jane C Munday, Hermann Tenor, An Matheeussen, Maikel Wijtmans, Marco Siderius, Chris de Graaf, Louis Maes, Harry P de Koning, David S Bailey, Geert Jan Sterk, Iwan J P de Esch, David G Brown, Rob Leurs
Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. Journal of medicinal chemistry 61 (9) (2018)
Márton Vass, Sabina Podlewska, Iwan J P de Esch, Andrzej J Bojarski, Rob Leurs, Albert Jelke Kooistra, Chris de Graaf
Aminergic GPCR-Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data. Journal of medicinal chemistry 62 (8) (2018)
Patricia M Dijkman, Oliver K Castell, Alan D Goddard, Juan C Munoz-Garcia, Chris de Graaf, Mark Ian Wallace, Anthony Watts
Dynamic tuneable G protein-coupled receptor monomer-dimer populations. Nature communications 9 (1) (2018)
Albert Jelke Kooistra, Márton Vass, Ross McGuire, Rob Leurs, Iwan J P de Esch, Gert Vriend, Stefan Verhoeven, Chris de Graaf
3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery. ChemMedChem 13 (6) (2018)
Niels J Hauwert, Tamara A M Mocking, Daniel Da Costa Pereira, Albert J Kooistra, Lisa M Wijnen, Gerda C M Vreeker, Eléonore W E Verweij, Albertus H De Boer, Martine J Smit, Chris de Graaf, Henry F Vischer, Iwan J P de Esch, Maikel Wijtmans, Rob Leurs
Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology. Journal of the American Chemical Society 140 (12) (2018)
Leigh A Stoddart, Andrea J Vernall, Monica Bouzo-Lorenzo, Reggie Bosma, Albert J Kooistra, Chris de Graaf, Henry F Vischer, Rob Leurs, Stephen J Briddon, Barrie Kellam, Stephen J Hill
Development of novel fluorescent histamine H1-receptor antagonists to study ligand-binding kinetics in living cells. Scientific reports 8 (1) (2018)
Ross McGuire, Stefan Verhoeven, Márton Vass, Gerrit Vriend, Iwan J P de Esch, Scott J Lusher, Rob Leurs, Lars Ridder, Albert Jelke Kooistra, Tina Ritschel, Chris de Graaf
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine. Journal of chemical information and modeling 57 (2) (2017)
Marta Arimont, Shan-Liang Sun, Rob Leurs, Martine Smit, Iwan J P de Esch, Chris de Graaf
Structural Analysis of Chemokine Receptor-Ligand Interactions. Journal of medicinal chemistry 60 (12) (2017)

Chris de Graaf.css-eqlu8i{font-size:small;padding-left:4px;} (Chris De Graaf)

Publication Activity (10 Years)

Top Topics

Top Venues

Chris de Graaf (Chris De Graaf)