Hans De Winter

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2025 J jnl
A beginner's approach to deep learning applied to VS and MD techniques.
J. Cheminformatics
Stijn Dhondt, José Oramas, Hans De Winter
2025 J jnl
C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification.
J. Cheminformatics
Roy Aerts, Joris Tavernier, Alan Kerstjens, Mazen Ahmad, José Carlos Gómez-Tamayo, Gary Tresadern, Hans De Winter
2025 J jnl
Matched pairs demonstrate robustness against inter-assay variability.
J. Cheminformatics
Jochem Nelen, Horacio Pérez Sánchez, Hans De Winter, Dries Van Rompaey
2025 J jnl
MolAgent: Biomolecular Property Estimation in the Agentic Era.
J. Chem. Inf. Model.
José Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts, Natalia Dyubankova, Dries Van Rompaey, Sairam Menon, Marvin N. Steijaert, Jörg Kurt Wegner, Hugo Ceulemans, Gary Tresadern, Hans De Winter, Mazen Ahmad
2024 J jnl
Cosolvent Molecular Dynamics Applied to DPP4, DPP8 and DPP9: Reproduction of Important Binding Features and Use in Inhibitor Design.
J. Chem. Inf. Model.
Olivier Beyens, Sam Corthaut, Sarah Peeters, Pieter Van Der Veken, Ingrid De Meester, Hans De Winter
2024 J jnl
Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART).
J. Cheminformatics
Olivier Beyens, Hans De Winter
2023 J jnl
A molecule perturbation software library and its application to study the effects of molecular design constraints.
J. Cheminformatics
Alan Kerstjens, Hans De Winter
2022 J jnl
LEADD: Lamarckian evolutionary algorithm for de novo drug design.
J. Cheminformatics
Alan Kerstjens, Hans De Winter
2020 J jnl
A Computational and Modeling Study of the Reaction Mechanism of Staphylococcus aureus Monoglycosyltransferase Reveals New Insights on the GT51 Family of Enzymes.
J. Chem. Inf. Model.
Kenneth Goossens, Rui P. P. Neves, Pedro Alexandrino Fernandes, Hans De Winter
2020 J jnl
Assessment of the Fragment Docking Program SEED.
J. Chem. Inf. Model.
Kenneth Goossens, Berthold Wroblowski, Cassiano Langini, Herman van Vlijmen, Amedeo Caflisch, Hans De Winter
2018 J jnl
Molecular Dynamics Simulations of Membrane Proteins: An Overview.
J. Chem. Inf. Model.
Kenneth Goossens, Hans De Winter
2018 J jnl
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'.
J. Cheminformatics
Hans De Winter, Julio Cesar Dias Lopes
2018 J jnl
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.
J. Cheminformatics
Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter
2017 J jnl
The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability.
J. Cheminformatics
Julio Cesar Dias Lopes, Fábio Mendes dos Santos, Andrelly Martins-José, Koen Augustyns, Hans De Winter
2011 J jnl
Application of spectrophores™ to map vendor chemical space using self-organising maps.
J. Cheminformatics
Gert Thijs, Wilfried Langenaeker, Hans De Winter