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Chemistry

D-Index
57
Citations
9811
World Ranking
11295
National Ranking
219

Overview

Chris de Graaf is affiliated with Vrije Universiteit Amsterdam in the Netherlands. Their research focus falls within the broad field of Biochemistry, Genetics and Molecular Biology, with a particular emphasis on Molecular Biology, Cellular and Molecular Neuroscience, and Computational Theory and Mathematics among other subfields.

The scientist's recent publications illustrate a strong involvement in receptor biology and drug discovery. Notable papers include:

  • Impact of GPCR Structures on Drug Discovery, 2020, Cell
  • Advances in therapeutic peptides targeting G protein-coupled receptors, 2020, Nature Reviews Drug Discovery
  • KLIFS: an overhaul after the first 5 years of supporting kinase research, 2020, Nucleic Acids Research
  • Structure-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: What Can Molecular Docking Do for You?, 2021, Pharmacological Reviews
  • From structure to clinic: Design of a muscarinic M1 receptor agonist with the potential to treat Alzheimer's disease, 2021, Cell

Their research encompasses topics such as Receptor Mechanisms and Signaling, Computational Drug Discovery Methods, and Neuropeptides and Animal Physiology. Additional topics include Machine Learning in Materials Science, Chemical Synthesis and Analysis, Chemokine receptors and signaling, and Monoclonal and Polyclonal Antibodies Research.

Chris de Graaf frequently publishes in journals such as:

  • Journal of Cheminformatics
  • Journal of Chemical Information and Modeling
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Cell
  • Proceedings of the National Academy of Sciences

The scientist often collaborates with several colleagues, including Rob Leurs, Iwan J. P. de Esch, Andreas Bender, Noel M. O'Boyle, and Francesca Deflorian.

Best Publications

  • Generic GPCR residue numbers – aligning topology maps while minding the gaps

    Vignir Isberg;Chris de Graaf;Andrea Bortolato;Vadim Cherezov

  • Structure of the human glucagon class B G-protein-coupled receptor

    Fai Yiu Siu;Min He;Chris De Graaf;Gye Won Han

  • Glucagon-like peptide-1 and its class B G protein-coupled receptors: A long march to therapeutic successes

    Chris de Graaf;Dan Donnelly;Denise Wootten;Jesper Lau

  • Impact of GPCR Structures on Drug Discovery

    Miles Congreve;Chris de Graaf;Nigel A. Swain;Christopher G. Tate

  • KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.

    Oscar P J van Linden;Albert J Kooistra;Rob Leurs;Iwan J P de Esch

  • Ligand efficiency as a guide in fragment hit selection and optimization

    Sabine Schultes;Chris de Graaf;Eric E.J. Haaksma;Eric E.J. Haaksma;Iwan J.P. de Esch

  • Cytochrome P450 in Silico: An Integrative Modeling Approach

    de Graaf, , C.;N.P.E. Vermeulen;K.A. Feenstra

  • Advances in therapeutic peptides targeting G protein-coupled receptors

    Anthony P. Davenport;Conor C. G. Scully;Chris de Graaf;Alastair J. H. Brown

  • Insights into the structure of class B GPCRs.

    Kaspar Hollenstein;Chris de Graaf;Andrea Bortolato;Ming-Wei Wang

  • Crystal structure-based virtual screening for novel fragment-like ligands of the human histamine H1 receptor

    Chris de Graaf;Albert J. Kooistra;Henry F. Vischer;Vsevolod Katritch

  • Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators

    Gaojie Song;Dehua Yang;Yuxia Wang;Chris de Graaf

  • Diazepam-bound GABAA receptor models identify new benzodiazepine binding-site ligands

    Lars Richter;Chris de Graaf;Werner Sieghart;Zdravko Varagic

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

    Doris A. Schuetz;Wilhelmus Egbertus Arnout de Witte;Yin Cheong Wong;Bernhard Knasmueller

  • Structure of the full-length glucagon class B G-protein-coupled receptor

    Haonan Zhang;Anna Qiao;Dehua Yang;Linlin Yang

  • Structure-Based Virtual Screening for Ligands of G Protein–Coupled Receptors: What Can Molecular Docking Do for You?

    Unknown

  • KLIFS: a structural kinase-ligand interaction database

    Albert J. Kooistra;Georgi K. Kanev;Oscar P.J. van Linden;Rob Leurs

  • Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated docking.

    Chris de Graaf;Pavel Pospisil;Wouter Pos;Gerd Folkers

  • Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

    Chris de Graaf;Chris Oostenbrink;Peter H. J. Keizers;Tushar van der Wijst

  • Selective structure-based virtual screening for full and partial agonists of the beta2 adrenergic receptor.

    Chris de Graaf;Didier Rognan

  • Extending the Structural View of Class B GPCRs

    Chris de Graaf;Gaojie Song;Can Cao;Qiang Zhao

  • Structural Analysis of Chemokine Receptor–Ligand Interactions

    Marta Arimont;Shan-Liang Sun;Rob Leurs;Martine Smit

Frequent Co-Authors

Iwan J. P. de Esch
Iwan J. P. de Esch Vrije Universiteit Amsterdam
Rob Leurs
Rob Leurs Vrije Universiteit Amsterdam
Raymond C. Stevens
Raymond C. Stevens University of Southern California
Nico P. E. Vermeulen
Nico P. E. Vermeulen Vrije Universiteit Amsterdam
Ming-Wei Wang
Ming-Wei Wang Chinese Academy of Sciences
Martine J. Smit
Martine J. Smit Vrije Universiteit Amsterdam
Didier Rognan
Didier Rognan University of Strasbourg
Jan N. M. Commandeur
Jan N. M. Commandeur Vrije Universiteit Amsterdam
Andreas Bender
Andreas Bender University of Cambridge
Miles Congreve
Miles Congreve University of Hertfordshire

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