Antonius ter Laak

Benchmark Data Set for in Silico Prediction of Ames Mutagenicity

Katja Hansen, Sebastian Mika, Timon Schroeter et al. · Journal of Chemical Information and Modeling · 2009 · 367 citations · Full text

Pharmacy, Bioinformatics, Toxicology +15

Mutational Analysis of the Antagonist-binding Site of the Histamine H1 Receptor

Kerstin Wieland, Antonius ter Laak, Martine J. Smit et al. · Journal of Biological Chemistry · 1999 · 122 citations · Full text

Medicine, Molecular Biology, Pharmacology +17

Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks

Floriane Montanari, Lara Kuhnke, Antonius ter Laak et al. · Molecules · 2019 · 115 citations · Full text

Computing, Chemistry, Computer Science +17

Homology Modeling of Rat and Human Cytochrome P450 2D (CYP2D) Isoforms and Computational Rationalization of Experimental Ligand-Binding Specificities

Jennifer Venhorst, Antonius ter Laak, Jan N. M. Commandeur et al. · Journal of Medicinal Chemistry · 2002 · 112 citations · Full text

Medicine, Biochemistry, Pharmacology +17

Prediction of Ligand Binding Affinity and Orientation of Xenoestrogens to the Estrogen Receptor by Molecular Dynamics Simulations and the Linear Interaction Energy Method

Marola M.H. van Lipzig, Antonius ter Laak, Aldo Jongejan et al. · Journal of Medicinal Chemistry · 2004 · 106 citations · Full text

Pharmacy, Biochemistry, Pharmacology +17