Hans De Winter

15 papers Journal 15

Year	Rank	Type	Title / 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