Willem Jespers

33PUBLICATIONS
108CO-AUTHORS
Proteins and peptidesBiologically active moleculesPharmaceutical delivery technologiesCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and design
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Publications (33)

|Sep 22, 2026
Molecular docking versus co-folding for protein-peptide pose prediction: effects of protein flexibility and training set overlap.

|Sep 11, 2026
Total Synthesis of Paenitracin B and Analogues with Enhanced Antibacterial Activity.

|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

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Frequent Collaborators

15 joint publications

Hugo Gutiérrez-de-Terán

14 joint publications

Gerard J P van Westen

7 joint publications

Johan Åqvist

6 joint publications

Eddy Sotelo