Projects per year
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Dive into the research topics where Unit of theoretical and structural physico-chemistry is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Collaborations and top research areas from the last five years
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Profiles
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Dhouha Abeira
- Technological Platform High Performance Computing
- Unit of theoretical and structural physico-chemistry
Person: Scientific Staff Visiting researcher
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Isothermal Titration Calorimetry as a rational tool, from catalysis to drug design
Michaux, C. (PI), Berionni, G. (CoPI) & Vincent, S. (CoPI)
1/01/25 → 31/12/26
Project: Research
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Mechanochemical deracemization: a sustainable approach to enantiopure compounds
Leyssens, T. (PI) & Wouters, J. (PI)
1/01/25 → 31/12/28
Project: Research
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ROA_env: Investigation of the environment effects on the Raman optical activity signatures of flexible solute molecules
D'Haese, L. (PI) & Liegeois, V. (Supervisor)
1/01/25 → 30/09/26
Project: Research
Research output
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Exploration of the influence of environmental changes on the conformational and amyloidogenic landscapes of the zinc finger protein DPF3a by combining biophysical and molecular dynamics approaches
Mignon, J., Leyder, T., Monari, A., Mottet, D. & Michaux, C., 19 Apr 2025, In: International journal of biological macromolecules. 310, 21 p., 143234.Research output: Contribution to journal › Article › peer-review
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Modeling second harmonic generation at alcohol/air interfaces. A molecular multi-layer approach
Ramos, T. N. & Champagne, B., 2025, In: Journal of Molecular Liquids. 428, p. 127499Research output: Contribution to journal › Article › peer-review
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Preparation and pharmacological characterization of the enantiomers of the anticancer agent R/S-N-3-cyanophenyl-N'-(6-tert-butoxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)urea: Identification of the R-enantiomer as the active eutomer
Schnekenburger, M., Goffin, E., Schoumacher, M., Tumanov, N., Mouithys-Mickalad, A., de Tullio, P., Wouters, J., Lebrun, P., Diederich, M. & Pirotte, B., Apr 2025, In: European Journal of Medicinal Chemistry Reports. 13, 100244.Research output: Contribution to journal › Article › peer-review
Open AccessFile3 Downloads (Pure)
Activities
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ACS Applied Nano Materials (Journal)
Leherte, L. (Peer reviewer)
9 Mar 2025Activity: Publication peer-review and editorial work types › Publication peer-review
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Ecole Doctorale Thématique (EDT) CHIM 2025 à l'UNamur
Liegeois, V. (Contributor)
28 Jan 2025Activity: Participating in or organising an event types › Participation in conference
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TDDFT Investigation of the Optical and Nonlinear Optical Properties of Linear and 2-Dimensional Charge Transfer Chromophores based on Polyoxometalates
Deveaux, N. (Speaker)
28 Jan 2025Activity: Talk or presentation types › Oral presentation
Prizes
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best oral communication award
Meinguet, C. (Recipient), 5 Jun 2013
Prize: Prize (including medals and awards)
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Bourse de recherche scientifique de l'OTAN
Leherte, L. (Recipient), 1 Apr 1993
Prize: Fellowship awarded competitively
Press/Media
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Reports Outline Biology Study Results from University of Namur (LolA and LolB are conserved in Bacteroidota and are crucial for gliding motility and Type IX secretion)
Dieu, M., Michaux, C., Renzi, F., Lima-Mendez, G. & Mignon, J.
26/03/25
1 item of Media coverage
Press/Media: Expert Comment
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University of Namur Reports Findings in Science (Atropisomerism in Triarylboranes: Lewis Base Assisted Rotation at C-B Stereogenic Axis in Asymmetrical Boron Lewis Acids)
Champagne, B., Wouters, J., Fusaro, L. & Tumanov, N.
24/03/25
1 item of Media coverage
Press/Media: Expert Comment
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Atropisomerism in Triarylboranes
Champagne, B., Wouters, J., Fusaro, L. & Tumanov, N.
20/02/25
1 item of Media coverage
Press/Media: Expert Comment
Datasets
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CCDC 950751: Experimental Crystal Structure Determination
Armani, S. (Contributor), Bonifazi, D. (Contributor), Carloni, L.-E. (Contributor), De Leo, F. (Contributor), Fabbro, C. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2014
DOI: 10.5517/cc10xbdn, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc10xbdn&sid=DataCite
Dataset
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CCDC 897039: Experimental Crystal Structure Determination
Kervyn, S. (Contributor), Fenwick, O. (Contributor), Di Stasio, F. (Contributor), Shin, Y. S. (Contributor), Wouters, J. (Contributor), Accorsi, G. (Contributor), Osella, S. (Contributor), Beljonne, D. (Contributor), CACIALLI, F. (Contributor) & Bonifazi, D. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2013
DOI: 10.5517/ccz3fr7, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccz3fr7&sid=DataCite
Dataset
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CCDC 1061055: Experimental Crystal Structure Determination
George, F. (Contributor), Leyssens, T. (Contributor), Norberg, B. (Contributor) & Wouters, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2015
DOI: 10.5517/cc14m3lg, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc14m3lg&sid=DataCite
Dataset
Student theses
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Analyse et modélisation de nouveaux inhibiteurs non nucléosidiques de la transcriptase inverse du virus de l'immunodéficience humaine de type 1 (VIH-1)
Boland, S. (Author), Durant, F. (Supervisor), Andre, J.-M. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (Jury), 27 Feb 2004Student thesis: Doc types › Doctor of Sciences
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Apport de la chimie calculatoire à la modélisation de diagrammes de phases.
Fontaine, M. (Author), Andre, J.-M. (Supervisor), Perpete, É. (Jury), Sporken, R. (Jury), ADJIMAN, C. (Jury) & Charlot, M. (Jury), 2003Student thesis: Doc types › Doctor of Sciences
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Approche structurale et fonctionnelle de la première enzyme de la voie de la sérine: PHGDH, une cible potentielle pour le traitement du cancer
Themans, Q. (Author), Wouters, J. (Supervisor), Leherte, L. (President), Unterlass, J. (Jury), Sirigu, S. (Jury) & Röhrig, U. (Jury), 18 Oct 2019Student thesis: Doc types › Doctor of Sciences
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