Hans De Winter

According to our database, Hans De Winter authored at least 11 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

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, December, 2024

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

2023

A molecule perturbation software library and its application to study the effects of molecular design constraints.

Alan Kerstjens, Hans De Winter

J. Cheminformatics, December, 2023

2022

LEADD: Lamarckian evolutionary algorithm for de novo drug design.

Alan Kerstjens, Hans De Winter

J. Cheminformatics, 2022

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

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

2018

Molecular Dynamics Simulations of Membrane Proteins: An Overview.

Kenneth Goossens, Hans De Winter

J. Chem. Inf. Model., 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

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

2017

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

2011

Application of spectrophores™ to map vendor chemical space using self-organising maps.

Gert Thijs, Wilfried Langenaeker, Hans De Winter

J. Cheminformatics, 2011