Herman Van Vlijmen

Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors

Adriaan P IJzerman, Gerard J P van Westen, Lindsey Burggraaff, 2020, J. Chem. Inf. Model..

Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs

Adriaan P IJzerman, Gerard J P van Westen, Chi Chung Lam, 2020, J. Chem. Inf. Model..

DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology

Michael T. M. Emmerich, Adriaan P. IJzerman, Herman Van Vlijmen, 2021, Journal of Cheminformatics.

Advantages of predicted phenotypes and statistical learning models in inferring virological response to antiretroviral therapy from HIV genotype

Thomas Lengauer, Yardena Peres, Rolf Kaiser, 2008, Antiviral therapy.

Structure-based site of metabolism prediction for cytochrome P450 2D6.

Arnout Ceulemans, Maxwell D Cummings, Samuel L. C. Moors, 2011, Journal of medicinal chemistry.

Affinity enhancement of an in vivo matured therapeutic antibody using structure‐based computational design

Woody Sherman, Kenneth Simon, L. A. Clark, 2006, Protein science : a publication of the Protein Society.