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Hans De Winter
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2020 – today
- 2024
- [j11]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): 23 (2024) - [j10]Olivier Beyens, Sam Corthaut, Sarah Peeters, Pieter Van Der Veken
Cosolvent Molecular Dynamics Applied to DPP4, DPP8 and DPP9: Reproduction of Important Binding Features and Use in Inhibitor Design. J. Chem. Inf. Model. 64(19): 7650-7665 (2024) - 2023
- [j9]Alan Kerstjens
A molecule perturbation software library and its application to study the effects of molecular design constraints. J. Cheminformatics 15(1): 89 (2023) - 2022
- [j8]Alan Kerstjens
LEADD: Lamarckian evolutionary algorithm for de novo drug design. J. Cheminformatics 14(1): 3 (2022) - 2020
- [j7]Kenneth Goossens
Assessment of the Fragment Docking Program SEED. J. Chem. Inf. Model. 60(10): 4881-4893 (2020) - [j6]Kenneth Goossens
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): 5513-5528 (2020)
2010 – 2019
- 2018
- [j5]Rafaela Gladysz, Fábio Mendes dos Santos, Wilfried Langenaeker, Gert Thijs
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): 9:1-9:24 (2018) - [j4]Hans De Winter
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): 14:1-14:2 (2018) - [j3]Kenneth Goossens, Hans De Winter
Molecular Dynamics Simulations of Membrane Proteins: An Overview. J. Chem. Inf. Model. 58(11): 2193-2202 (2018) - 2017
- [j2]Julio Cesar Dias Lopes, Fábio Mendes dos Santos, Andrelly Martins-José, Koen Augustyns
The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability. J. Cheminformatics 9(1): 7:1-7:11 (2017) - 2011
- [j1]Gert Thijs
Application of spectrophores™ to map vendor chemical space using self-organising maps. J. Cheminformatics 3(S-1): 7 (2011)
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