Projecten per jaar
Persoonlijk profiel
Expertise
My general research goal is to develop methods for molecular simulations / Computer Aided Drug Design (CADD), and apply such methods in drug design projects in collaboration with experimentalists. I am particularly interested in energy functions and ad-hoc force fields for unusual chemical motifs. I have been involved in diverse facets of method development in both target-based and ligand-based CADD and can work on a variety of methods depending on the requirements of my collaborations.
Externe posities
Research Specialist
1 jan. 2011 → 20 aug. 2015
Postdoctoral Fellow, University of Maryland School of Pharmacy
1 nov. 2006 → 31 dec. 2010
Vingerafdruk
Verdiep u in de onderzoeksgebieden waarop Kenno Vanommeslaeghe actief is. Deze onderwerplabels komen uit het werk van deze persoon. Samen vormen ze een unieke vingerafdruk.
- 1 Soortgelijke profielen
Samenwerkingen en hoofdonderzoeksgebieden uit de afgelopen vijf jaar
Recente externe samenwerking op landen-/regioniveau. Duik in de details door op de stippen te klikken of
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HERC53: Seahorse platform: de Agilent Seahorse Flux Analyser met geïntegreerd normalizatie systeem
Massie, A. (Administrative Promotor), Stiens, J. (Co-Promoter), Van Ginderachter, J. (Co-Promoter), Vanommeslaeghe, K. (Co-Promoter), Vinken, M. (Co-Promoter), Menu, E. (Co-Promoter), Spits, C. (Co-Promoter) & Njemini, R. (Co-Promoter)
1/05/20 → 30/04/27
Project: Fundamenteel
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FWOAL1041: Combinatie van Moleculaire Dynamica en Quantitative Structure Enantioselective Relationship (QSER) modellen voor de opheldering van enantioselectieve herkenning op polysaccharide en antibiotica gebaseerde chirale selectoren
Mangelings, D. (Administrative Promotor), Vanommeslaeghe, K. (Co-Promoter) & Vander Heyden, Y. (Co-Promoter)
1/01/22 → 31/12/25
Project: Fundamenteel
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OZR3565: Seahorse platform: de Agilent Seahorse Flux Analyser met geïntegreerd normalizatie systeem
Massie, A. (Administrative Promotor), Stiens, J. (Co-Promoter), Van Ginderachter, J. (Co-Promoter), Vanommeslaeghe, K. (Co-Promoter), Vinken, M. (Co-Promoter), Menu, E. (Co-Promoter), Spits, C. (Co-Promoter) & Njemini, R. (Co-Promoter)
1/05/20 → 30/04/26
Project: Fundamenteel
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Solvent-Dependent Conformational Diversity of Polysaccharide-Based Chiral Selectors
Ameli, F., Van de Velde, R., Vander Heyden, Y., Mangelings, D. & Vanommeslaeghe, K., 9 mrt. 2026, In: Journal of Chemical Information and Modeling. 66, 5, blz. 2807-2819 13 blz.Onderzoeksoutput: Article › peer review
Open AccessBestand1 Citaat (Scopus)19 Downloads (Pure) -
A novel replica exchange molecular dynamics variant for efficient conformational sampling and free energy calculations
Ameli, F., Vander Heyden, Y. (Contributor), Mangelings, D. (Contributor) & Vanommeslaeghe, K. (Contributor), 15 sep. 2025.Onderzoeksoutput: Poster
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Collagen as a stress test and a tool for improvement of glycine and proline conformations in biomolecular force fields
Vanommeslaeghe, K., 19 aug. 2025, In: Biophysical journal. 124, 16, blz. 2566-2568 3 blz.Onderzoeksoutput: Article › peer review
Open AccessBestand -
Development of Ensemble Steric and Electrostatic Chirality (ESEC) descriptors for modelling chromatographic enantioseparations
Peeters, J., De Gauquier, P., Ameli, F., Heyden, Y. V., Mangelings, D. & Vanommeslaeghe, K., 17 okt. 2025, In: PLOS ONE. 20, 10, 24 blz., e0333635.Onderzoeksoutput: Article › peer review
Open AccessBestand4 Citaten (Scopus)22 Downloads (Pure)
Datasets
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Solvent-dependent conformational diversity of polysaccharide-based chiral selectors
Ameli, F. (Creator), Van de Velde, R. (Creator), Vander Heyden, Y. (Creator), Mangelings, D. (Creator) & Vanommeslaeghe, K. (Creator), Zenodo, 2025
Dataset
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Development of Ensemble Steric and Electrostatic Chirality (ESEC) descriptors for modelling chromatographic enantioseparations
Peeters, J. (Creator), De Gauquier, P. (Creator), Ameli, F. (Creator), Vander Heyden, Y. (Creator), Mangelings, D. (Creator) & Vanommeslaeghe, K. (Creator), Zenodo, 4 sep. 2024
Dataset
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A Simple Model for the Pauli Repulsion with Possible Utility in QM, MM and Chemical Education
Peeters, J. (Creator) & Vanommeslaeghe, K. (Creator), Zenodo, 2025
Dataset
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Molecular dynamics study of differential effects of serotonin-2A-receptor (5-HT2AR) modulators
Peeters, J. (Creator), De Bundel, D. (Creator) & Vanommeslaeghe, K. (Supervisor), Zenodo, jun. 2025
Dataset
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Predicting enantioseparations on polysaccharide-based stationary phases using achiral and chiral molecular descriptors
De Gauquier, P. (Creator), Peeters, J. (Creator), Ameli, F. (Creator), Lipka, E. (Creator), Vanommeslaeghe, K. (Creator), Vander Heyden, Y. (Creator) & Mangelings, D. (Creator), Zenodo, 28 aug. 2025
Dataset
Activiteiten
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Replica Exchange with Flexible Timing (REFT): a novel replica exchange variant for efficient conformational sampling and free energy calculations
Ameli, F. (Speaker), Vander Heyden, Y. (Contributor), Mangelings, D. (Contributor) & Vanommeslaeghe, K. (Contributor)
12 jul. 2026 → 16 jul. 2026Activiteit: Talk or presentation at a conference
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Prediction of Enantioseparations on Polysaccharide-Based Chiral Stationary Phases
Mangelings, D. (Speaker), De Gauquier, P. (Contributor), Peeters, J. (Contributor), Ameli, F. (Contributor), Vander Heyden, Y. (Contributor) & Vanommeslaeghe, K. (Contributor)
6 jul. 2026 → 9 jul. 2026Activiteit: Talk or presentation at a conference
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Chiral chromatography on polysaccharide-based chiral selectors: exploration of their conformational diversity and chiral recognition mechanisms using computational methods
Ameli, F. (Speaker), Vander Heyden, Y. (Contributor), Mangelings, D. (Contributor) & Vanommeslaeghe, K. (Contributor)
15 jun. 2025 → 19 jun. 2025Activiteit: Talk or presentation at a conference
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Chiral separations on polysaccharide-based chiral selectors: exploring their conformational diversity and chiral recognition mechanisms using computational methods
Ameli, F. (Speaker), Vander Heyden, Y. (Contributor), Mangelings, D. (Contributor) & Vanommeslaeghe, K. (Contributor)
31 mrt. 2025 → 1 apr. 2025Activiteit: Talk or presentation at a conference
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Farmaceutische en Farmacologische Wetenschappen (Organisatie)
Peeters, J. (Speaker), Vanommeslaeghe, K. (Supervisor), Massie, A. (Chair), De Vleeschouwer, F. (Jury), De Winter, H. (Jury), Verstraelen, T. (Jury) & Vorobieva, A. A. (Jury)
22 dec. 2025Activiteit: Member of PhD committee
Scriptie
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Chiral separations on macrocyclic antibiotic-based chiral stationary phases: Comparison and modelling of the retention/separation
Bashir, S. ((PhD) Student), Mangelings, D. (Promotor), Vander Heyden, Y. (Promotor) & Vanommeslaeghe, K. (Promotor), De Gauquier, P. (Co-promotor), 2022Scriptie/Masterproef: Master's Thesis
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Modelling the retention and separation of structurally diverse chiral pharmaceuticals on polysaccharide chiral stationary phases
Daenen, L. ((PhD) Student), Vander Heyden, Y. (Promotor), Mangelings, D. (Promotor) & Vanommeslaeghe, K. (Promotor), De Gauquier, P. (Advisor), 2023Scriptie/Masterproef: Master's Thesis
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Molecular simulation study of the activation mechanism of the lisuride-bound 5-HT2A Receptor
Emmerechts, S. ((PhD) Student) & Vanommeslaeghe, K. (Promotor), Peeters, J. (Advisor), 2025Scriptie/Masterproef: Master's Thesis
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Synthese en moleculaire modelleringsstudie van een TSA analoog als potentiële Histon Deacetylase inhibitor
Vanommeslaeghe, K. ((PhD) Student) & Tourwe, D. (Promotor), Tourwe, D. (Promotor), 2000Scriptie/Masterproef: Master's Thesis