Iwan J. P. de Esch

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

Michael P. Menden, Dennis Wang, Mike J. Mason et al. · Nature Communications · 2019 · 350 citations · Full text

KLIFS: A Knowledge-Based Structural Database To Navigate Kinase–Ligand Interaction Space

Oscar P. J. van Linden, Albert J. Kooistra, Rob Leurs et al. · Journal of Medicinal Chemistry · 2013 · 297 citations · Full text

Signal Transduction Pathways, Engineering, Structural Bioinformatics +18

Ligand efficiency as a guide in fragment hit selection and optimization

Sabine Schultes, Chris de Graaf, Eric Haaksma et al. · Drug Discovery Today Technologies · 2010 · 241 citations · Full text

Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H ₁ Receptor

Chris de Graaf, Albert J. Kooistra, Henry F. Vischer et al. · Journal of Medicinal Chemistry · 2011 · 202 citations · Full text

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

Lars Richter, Chris de Graaf, Werner Sieghart et al. · Nature Chemical Biology · 2012 · 197 citations

Molecular Pharmacology, Drug Target, Biochemistry +7