Gerard Van Westen

59PUBLICATIONS
203CO-AUTHORS
Proteins and peptidesPharmaceutical delivery technologiesComputational chemistryArtificial life and complex adaptive systemsBiomolecular modelling and design
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Publications (59)

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

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

|Jul 10, 2026
Automated Parallel Synthesis Accelerates Virtual Screening Hit Discovery.

|May 07, 2026
Artificial Intelligence for Regulatory Evidence: A Systematic Document Analysis of European Medicines Agency Regulatory Advice and Public Reports.

|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

14 joint publications

Willem Jespers

13 joint publications

Adriaan P IJzerman

8 joint publications

Laura H Heitman

8 joint publications

Herman W T van Vlijmen