Application of spectrophores™ to map vendor chemical space using self-organising maps. - Gert Thijs; Wilfried Langenaeker; Hans De Winter (J. Cheminformatics, 2011)

The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability. - Julio Cesar Dias Lopes; Fábio Mendes dos Santos; Andrelly Martins-José; Koen Augustyns; Hans De Winter (J. Cheminformatics, 2017)

Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening. - Rafaela Gladysz; Fábio Mendes dos Santos; Wilfried Langenaeker; Gert Thijs; Koen Augustyns; Hans De Winter (J. Cheminformatics, 2018)

Reply to the comment made by Šicho, Vorśilák and Svozil on 'The Power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability'. - Hans De Winter; Julio Cesar Dias Lopes (J. Cheminformatics, 2018)

Molecular Dynamics Simulations of Membrane Proteins: An Overview. - Kenneth Goossens; Hans De Winter (J. Chem. Inf. Model., 2018)

A Computational and Modeling Study of the Reaction Mechanism of Staphylococcus aureus Monoglycosyltransferase Reveals New Insights on the GT51 Family of Enzymes. - Kenneth Goossens; Rui P. P. Neves; Pedro Alexandrino Fernandes; Hans De Winter (J. Chem. Inf. Model., 2020)

Assessment of the Fragment Docking Program SEED. - Kenneth Goossens; Berthold Wroblowski; Cassiano Langini; Herman van Vlijmen; Amedeo Caflisch; Hans De Winter (J. Chem. Inf. Model., 2020)

LEADD: Lamarckian evolutionary algorithm for de novo drug design. - Alan Kerstjens; Hans De Winter (J. Cheminformatics, 2022)

A molecule perturbation software library and its application to study the effects of molecular design constraints. - Alan Kerstjens; Hans De Winter (J. Cheminformatics, 2023)

Cosolvent Molecular Dynamics Applied to DPP4, DPP8 and DPP9: Reproduction of Important Binding Features and Use in Inhibitor Design. - Olivier Beyens; Sam Corthaut; Sarah Peeters; Pieter Van Der Veken; Ingrid De Meester; Hans De Winter (J. Chem. Inf. Model., 2024)

Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART). - Olivier Beyens; Hans De Winter (J. Cheminformatics, 2024)

A beginner's approach to deep learning applied to VS and MD techniques. - Stijn Dhondt; José Oramas; Hans De Winter (J. Cheminformatics, 2025)

Matched pairs demonstrate robustness against inter-assay variability. - Jochem Nelen; Horacio Pérez Sánchez; Hans De Winter; Dries Van Rompaey (J. Cheminformatics, 2025)