Hans De Winter

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 10

Top Topics

Protein Sequences

Molecular Dynamics

Seeded Region Growing

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Alan Kerstjens, Hans De Winter
Molecule auto-correction to facilitate molecular design. J. Comput. Aided Mol. Des. 38 (1) (2024)
Olivier Beyens, Hans De Winter
Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART). J. Cheminformatics 16 (1) (2024)
Alan Kerstjens, Hans De Winter
A molecule perturbation software library and its application to study the effects of molecular design constraints. J. Cheminformatics 15 (1) (2023)
Alan Kerstjens, Hans De Winter
LEADD: Lamarckian evolutionary algorithm for de novo drug design. J. Cheminformatics 14 (1) (2022)
Kenneth Goossens, Berthold Wroblowski, Cassiano Langini, Herman van Vlijmen, Amedeo Caflisch, Hans De Winter
Assessment of the Fragment Docking Program SEED. J. Chem. Inf. Model. 60 (10) (2020)
Kenneth Goossens, Rui Pp Neves, Pedro Alexandrino Fernandes, Hans De Winter
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. 60 (11) (2020)
Hans De Winter, Julio Cesar Dias Lopes
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 10 (1) (2018)
Kenneth Goossens, Hans De Winter
Molecular Dynamics Simulations of Membrane Proteins: An Overview. J. Chem. Inf. Model. 58 (11) (2018)
Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs, Koen Augustyns, Hans De Winter
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening. J. Cheminformatics 10 (1) (2018)
Julio Cesar Dias Lopes, Fábio Mendes dos Santos, Andrelly Martins-José, Koen Augustyns, Hans De Winter
The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability. J. Cheminformatics 9 (1) (2017)
Gert Thijs, Wilfried Langenaeker, Hans De Winter
Application of spectrophores™ to map vendor chemical space using self-organising maps. J. Cheminformatics 3 (S-1) (2011)