Willem Jespers

31PUBLICATIONS
100CO-AUTHORS
Pharmaceutical delivery technologiesCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designComputational chemistryStatistical and quantitative genetics
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Publications (31)

|Jul 13, 2026
From dual norepinephrine-dopamine reuptake inhibition to selective dopamine reuptake inhibitors: a case of aromatically substituted N,2-cyclopentylamines.

|Jul 06, 2026
Development of Indole-3-yl-methylene-thiobarbital Derivatives as Inhibitors of HDAC8 Enzyme Activity.

|Apr 29, 2026
A Structure-Based Platform for Predicting Chemical-Induced Parkinson's Disease.

|Feb 13, 2026
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.

David Alencar Araripe, Alejandro Díaz-Holguín, Antti Poso

|Nov 20, 2025
Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocol.

Lucien Koenekoop, Nadine van de Brug, Willem Jespers

|Nov 12, 2025
Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists.

Khaled Essa, Kian Noorman van der Dussen, Yao Yao

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Frequent Collaborators

15 joint publications

Hugo Gutiérrez-de-Terán

13 joint publications

Gerard J P van Westen

7 joint publications

Johan Åqvist

6 joint publications

Eddy Sotelo