Electron Density Fingerprints (EDprints): Virtual Screening Using Assembled Information of Electron Density. - Albert J. Kooistra; Thomas W. Binsl; Johannes H. G. M. van Beek; Chris de Graaf; Jaap Heringa (J. Chem. Inf. Model., 2010)

Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints. - Francesco Sirci; Enade P. Istyastono; Henry F. Vischer; Albert J. Kooistra; Saskia Nijmeijer; Martien Kuijer; Maikel Wijtmans; Raimund Mannhold; Rob Leurs; Iwan J. P. de Esch; Chris de Graaf (J. Chem. Inf. Model., 2012)

Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study. - Albert J. Kooistra; Rob Leurs; Iwan J. P. de Esch; Chris de Graaf (J. Chem. Inf. Model., 2015)

Analyzing Multitarget Activity Landscapes Using Protein-Ligand Interaction Fingerprints: Interaction Cliffs. - Oscar Méndez-Lucio; Albert J. Kooistra; Chris de Graaf; Andreas Bender 002; José L. Medina-Franco (J. Chem. Inf. Model., 2015)

Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT3A, Histamine H1, and Histamine H4 Receptors. - Sabine Schultes; Albert J. Kooistra; Henry F. Vischer; Saskia Nijmeijer; Eric E. J. Haaksma; Rob Leurs; Iwan J. P. de Esch; Chris de Graaf (J. Chem. Inf. Model., 2015)

KLIFS: a structural kinase-ligand interaction database. - Albert J. Kooistra; Georgi K. Kanev; Oscar P. J. van Linden; Rob Leurs; Iwan J. P. de Esch; Chris de Graaf (Nucleic Acids Res., 2016)

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine. - Ross McGuire; Stefan Verhoeven; Márton Vass; Gerrit Vriend; Iwan J. P. de Esch; Scott J. Lusher; Rob Leurs; Lars Ridder; Albert J. Kooistra; Tina Ritschel; Chris de Graaf (J. Chem. Inf. Model., 2017)

KLIFS: an overhaul after the first 5 years of supporting kinase research. - Georgi K. Kanev; Chris de Graaf; Bart A. Westerman; Iwan J. P. de Esch; Albert J. Kooistra (Nucleic Acids Res., 2021)

GPCRdb in 2021: integrating GPCR sequence, structure and function. - Albert J. Kooistra; Stefan Mordalski; Gáspár Pándy-Szekeres; Mauricio Esguerra; Alibek Mamyrbekov; Christian Munk; György M. Keserü; David E. Gloriam (Nucleic Acids Res., 2021)

KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome. - Dominique Sydow; Eva Aßmann; Albert J. Kooistra; Friedrich Rippmann; Andrea Volkamer (J. Chem. Inf. Model., 2022)

The G protein database, GproteinDb. - Gáspár Pándy-Szekeres; Mauricio Esguerra; Alexander S. Hauser; Jimmy Caroli; Christian Munk; Steven Pilger; György M. Keserü; Albert J. Kooistra; David E. Gloriam (Nucleic Acids Res., 2022)

Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks. - Georgi K. Kanev; Yaran Zhang; Albert J. Kooistra; Andreas Bender 002; Rob Leurs; David Bailey; Thomas Würdinger; Chris de Graaf; Iwan J. P. de Esch; Bart A. Westerman (PLoS Comput. Biol., 2023)

GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources. - Gáspár Pándy-Szekeres; Jimmy Caroli; Alibek Mamyrbekov; Ali A Kermani; György M. Keserü; Albert J. Kooistra; David E. Gloriam (Nucleic Acids Res., 2023)