Herman W. T. van Vlijmen

Medicinal Chemistry Leiden University, Leiden, Netherlands 
Computational Drug Discovery
"Herman van Vlijmen"


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B. Montgomery Pettitt research assistant 1990 University of Houston
Martin Karplus grad student 1997 Harvard
 (Structure, dynamics, and thermodynamics of proteins.)


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Gerard JP van Westen grad student 2007-2012 Leiden
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Burggraaff L, van Veen A, Lam CC, et al. (2020) Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs. Journal of Chemical Information and Modeling
Goossens K, Wroblowski B, Langini C, et al. (2020) Assessment of the Fragment Docking Program SEED. Journal of Chemical Information and Modeling
Deflorian F, Perez-Benito L, Lenselink EB, et al. (2020) Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. Journal of Chemical Information and Modeling
Burggraaff L, Lenselink EB, Jespers W, et al. (2020) Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors. Journal of Chemical Information and Modeling
Liu X, Ye K, van Vlijmen HWT, et al. (2019) An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A receptor. Journal of Cheminformatics. 11: 35
Sydow D, Burggraaff L, Szengel A, et al. (2019) Advances and Challenges in Computational Target Prediction. Journal of Chemical Information and Modeling
Ghanakota P, Van Vlijmen HWT, Sherman W, et al. (2018) Large Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at PPI Interfaces. Journal of Chemical Information and Modeling
Tresadern G, Trabanco AA, Pérez-Benito L, et al. (2017) Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling. Journal of Chemical Information and Modeling
Lenselink EB, Ten Dijke N, Bongers B, et al. (2017) Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set. Journal of Cheminformatics. 9: 45
Lenselink EB, Louvel J, Forti AF, et al. (2016) Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation. Acs Omega. 1: 293-304
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