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List of works by Herman van Vlijmen

Advances and Challenges in Computational Target Prediction

scientific article published on 28 February 2019

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

scientific article published on 24 May 2019

Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4

scientific article published on 12 April 2019

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

scientific article

Evaluation of comparative protein modeling by MODELLER

scientific article (publication date: November 1995)

Extending kinome coverage by analysis of kinase inhibitor broad profiling data

scientific article

Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling

scientific article published on 14 February 2019

Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent Inhibitors

scientific article published on 24 September 2019

Pan-cancer in silico analysis of somatic mutations in G-protein coupled receptors: The effect of evolutionary conservation and natural variance

Predicting Activity Cliffs with Free-Energy Perturbation

scientific article published on 01 March 2019

Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation

scientific article published on 20 March 2018

Protocols for the Design of Kinase-Focused Compound Libraries

scientific article published on 8 November 2017

Quantitative prediction of selectivity between the A1 and A2A adenosine receptors

scientific article published on 13 May 2020

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

scientific article published on 28 April 2020

The FAIR Cookbook - the essential resource for and by FAIR doers

scientific article published on 19 May 2023

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