Unit of theoretical and structural physico-chemistry

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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 2004

  Student 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), 2003

  Student thesis: Doc types › Doctor of Sciences

• 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 2019

  Student thesis: Doc types › Doctor of Sciences

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• Biophysical and enzymological exploration of Mycobacterium tuberculosis phosphoserine phosphatase SerB2 self-assembly and regulation by L-serine

  Pierson, E. (Author)Wouters, J. (Supervisor), Michaux, C. (President), De Bolle, X. (Jury), Fillet, M. (Jury) & Wintjens, R. (Jury), 3 Oct 2022

  Student thesis: Doc types › Doctor of Sciences

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• Boratriptycenes: Development and Reactivity of Non-Planar Boranes

  OSI, A. (Author)Berionni, G. (Supervisor), Wouters, J. (Jury), Lanners, S. (Jury), Bourissou, D. (Jury) & Braunschweig, H. (Jury), 26 Jun 2023

  Student thesis: Doc types › Doctor of Sciences

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• Caractérisation de désaturases et d’élongases impliquées dans le métabolisme lipidique de la perche commune (Perca fluviatilis)

  Tinti, E. (Author)Perpète, E. (Supervisor), Kestemont, P. (Co-Supervisor), Silvestre, F. (President), Michaux, C. (Jury), Alemán, C. (Jury) & Francis, F. (Jury), 29 Nov 2019

  Student thesis: Doc types › Doctor of Sciences

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• Caractérisation de la tréhalase d’Acyrthosiphon pisum en vue de la conception de nouveaux insecticides

  Neyman, V. (Author)Michaux, C. (Supervisor), Francis, F. (Co-Supervisor), Matroule, J.-Y. (President), Matagne, A. (Jury), Megido, R. C. (Jury) & Hans, M. (Jury), 12 Jun 2024

  Student thesis: Doc types › Doctor of Sciences

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• Caractérisation des interactions protéine-protéine dans le complexe DPF3-PLK1 impliqué dans la mitose cellulaire

  Mignon, J. (Author)Michaux, C. (Supervisor) & Perpete, E. (Co-Supervisor), 2021

  Student thesis: Master types › Master in Chemistry Research focus

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• Caractérisation structurale de la 5-lipoxygénase humaine et de son inhibition: support à la conception rationnelle d'inhibiteurs mixtes 5-LOX-COX-2

  Charlier, C. (Author)Wouters, J. (Supervisor), Durant, F. (Co-Supervisor), Dogne, J.-M. (Jury), Vercauteren, D. (Jury), Hennichart, J. P. (Jury) & Moureau, F. (Jury), 15 Feb 2006

  Student thesis: Doc types › Doctor of Sciences

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• Caractérisation structurale et étude de l'inhibityion de la 1-déoxy-D-xylulose-5-phosphate réductoisomérase (DXR) de E. coli et de la DXR-like (DRL) de B. abortus, par des analogues de la fosmidomycine

  Pouyez, J. (Author)Wouters, J. (Supervisor), Aprile, C. (President), De Bolle, X. (Jury), Lanners, S. (Jury), Leherte, L. (Jury) & Charlier, P. (Jury), 3 Oct 2014

  Student thesis: Doc types › Doctor of Sciences

• Caractérisation structurale et fonctionnelle de la protéine membranaire 45A (TMEM45A) dans les cancers du sein triple-négatifs

  Dal Maso, T. (Author)Wouters, J. (Supervisor), Michaux, C. (President), Le Calve, B. (Jury), Michiels, C. (Co-Supervisor), de Launoit, Y. (Jury) & Goormaghtigh, E. (Jury), 4 Oct 2019

  Student thesis: Doc types › Doctor of Sciences

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• Characterization of the anticancer properties of hydroxamate-based histone deacetylase inhibitors

  Lernoux, M. (Author)Schnekenburger, M. (Supervisor), DIEDERICH, M. (Co-Supervisor), Michiels, C. (Co-Supervisor), Arnould, T. (President), Sonveaux, P. (Jury), Wouters, J. (Jury), Gillet, J.-P. (Jury) & Dicato, M. (Jury), 22 Nov 2019

  Student thesis: Doc types › Doctor of Biomedical and Pharmaceutical Sciences

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• Characterization of the molecular role of PcoB in copper efflux in Caulobacter crescentus

  Khochtali, A. (Author)Matroule, J.-Y. (Supervisor), De Bolle, X. (President), Michaux, C. (Jury), Jacob-Dubuisson, F. (Jury) & Ilbert, M. (Jury), 12 Feb 2024

  Student thesis: Doc types › Doctor of Sciences

• Characterization of the oligomeric interface of Lactate Dehydrogenase-B (LDH-B) through crystallographic and molecular dynamics approaches

  Van Gysel, M. (Author)Wouters, J. (Supervisor), Olivier, Y. (President), Michaux, C. (Jury), FREDERICK, R. (Jury) & DE RUYCK, J. (Jury), 20 Feb 2023

  Student thesis: Doc types › Doctor of Sciences

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• Conception, synthèse, caractérisation, évaluation pharmacologique et études in vivo de dérivés de l'harmine en tant que nouvelles molécules aux propriétés anticancéreuses.

  Meinguet, C. (Author)Wouters, J. (Supervisor), Vercauteren, D. (President), Masereel, B. (Jury), Lanners, S. (Jury), Willand, N. (Jury) & Mathieu, V. (Jury), 25 Sept 2015

  Student thesis: Doc types › Doctor of Sciences

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• Conception, synthèse et étude d’inhibiteurs de la tryptophane 2,3-dioxygénase (TDO), une cible prometteuse pour le traitement du cancer

  Moineaux, L. (Author)Wouters, J. (Supervisor), Lanners, S. (President), Masereel, B. (Jury), Galleni, M. (Jury) & Frederick, R. (Jury), 30 Jan 2012

  Student thesis: Doc types › Doctor of Sciences

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• Conception, synthèse et évaluation d'inhibiteurs d'ADN méthyltransférases et d'histones désacétylases

  Boittiaux, I. (Author)Wouters, J. (Supervisor), Lambert, D. M. (Co-Supervisor), WILLEMS, L. (Jury), Poupaert, J. (Jury), Lanners, S. (Jury) & Vercauteren, D. (President), 21 Aug 2012

  Student thesis: Doc types › Doctor of Sciences

• Deciphering stereocontrol of propylene polymerization with CMe2[Flu-Mu-3-SiMe3-Cp]ZrCl2 ansa-metallocene using chemoinformatics and meta-heuristics

  Latour, T. (Author)Vercauteren, D. (Supervisor), Leherte, L. (Jury), Lanners, S. (President), Champagne, B. (Jury) & Debras, G. (Jury), 12 Oct 2012

  Student thesis: Doc types › Doctor of Sciences

• Density functional theory simulation and interpretation of inelastic electron tunneling spectra of molecular junctions: from model to complex systems

  Segerie, A. (Author)Champagne, B. (Supervisor), Bonifazi, D. (Jury), Liegeois, V. (Jury), Cecchet, F. (Jury), Castet, F. (Jury) & Nysten, B. (Jury), Oct 2014

  Student thesis: Doc types › Doctor of Sciences

• Designing and synthesis of hierarchically porous semiconductor materials for efficient pollutants elimination and sustainable energy evolution

  DING, Y. (Author)SU, B. L. (Supervisor), Liegeois, V. (President), DEPARIS, O. (Jury), Vlad, A. (Jury), Chen, L.-H. (Jury) & Barakat, T. (Jury), 21 Oct 2022

  Student thesis: Doc types › Doctor of Sciences

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• Designing Transition Metal Oxides as Cathode Materials for Highly Enhanced Performance of Lithium-Oxygen Batteries

  XING, P. (Author)SU, B. L. (Supervisor), Fusaro, L. (President), KRIEF, A. (Jury), Liegeois, V. (Jury), Vlad, A. (Jury), Li, Y. (Jury) & Barakat, T. (Jury), 29 Nov 2023

  Student thesis: Doc types › Doctor of Sciences

• Design of molecular switches exhibiting second-order nonlinear optical responses: ab initio investigations and hyper Rayleigh scattering characterizations

  Plaquet, A. (Author)Champagne, B. (Supervisor), Bonifazi, D. (President), Castet, F. (Co-Supervisor), Rodriguez, V. (Jury), SLIWA, M. (Jury) & Clays, K. (Jury), 31 May 2011

  Student thesis: Doc types › Doctor of Sciences

• Détermination des propriétés structurales et électroniques d'une série inédite d'imidazolylnitrones: contribution au développement de nouveaux agents antioxydants

  Camus, F. (Author)Durant, F. (Supervisor), Hevesi, L. (Jury), Vercauteren, D. (Jury), GOLDSTEIN, S. (Jury) & NEPVEU, F. (Jury), 2003

  Student thesis: Doc types › Doctor of Sciences

• Développement de critères de classification et d'outils informatiques de recherche et d'analyse de réactions chimiques dans les bases de données réactionnelles

  Dury, L. (Author)Vercauteren, D. (Supervisor), Krief, A. (Jury), Rasson, J. P. (Jury), Barberis, F. (Jury) & LAURENCO, C. (Jury), 2003

  Student thesis: Doc types › Doctor of Sciences

• Développement d'empreintes digitales moléculaires basées sur les points critiques de la densité électronique : application à l'inhibition des cytochromes P450

  Burton, J. (Author)Vercauteren, D. (Supervisor), Leherte, L. (Co-Supervisor), Fortier, S. (Jury), Michel, A. (Jury), Bourguignon, J.-J. (Jury) & Wouters, J. (Jury), 19 Sept 2008

  Student thesis: Doc types › Doctor of Sciences