Unit of theoretical and structural physico-chemistry

  • 5000

    Belgium

Fingerprint The fingerprint is based on mining the text of the scientific documents related to the associated persons. Based on that an index of weighted terms is created, which defines the key subjects of research unit

Molecules Chemical Compounds
Derivatives Chemical Compounds
Density functional theory Chemical Compounds
Polyacetylenes Chemical Compounds
Optical properties Chemical Compounds
molecules Physics & Astronomy
density functional theory Physics & Astronomy
Crystal structure Chemical Compounds

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Projects 1971 2022

Research Output 1975 2019

Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative

PIELAK, K., Bondu, F., Sanguinet, L., Rodriguez, V., Castet, F. & Champagne, B., 1 Jan 2019, In : Dyes and pigments. 160, p. 641-646 6 p.

Research output: Contribution to journalArticle

Optical properties
Derivatives
Rayleigh scattering
Excited states
Charge transfer

Anti-alcohol abuse drug disulfiram inhibits human PHGDH via disruption of its active tetrameric form through a specific cysteine oxidation

Spillier, Q., Vertommen, D., Ravez, S., Marteau, R., Thémans, Q., Corbet, C., Feron, O., Wouters, J. & Frédérick, R., 1 Dec 2019, In : Scientific Reports. 9, 1, 4737.

Research output: Contribution to journalArticle

Open Access
Phosphoglycerate Dehydrogenase
Disulfiram
Alcoholism
Cysteine
Pharmaceutical Preparations
norharman
Intravenous Injections
Solubility
multiple docking adapters
solubility

Activities 1987 2019

Scientific Reports (Journal)

Laurence Leherte (Peer reviewer)
10 Mar 2019

Activity: Publication peer-review and editorial work typesPublication peer-review

Journal of Chemical Theory and Computation (Journal)

Laurence Leherte (Peer reviewer)
17 Mar 2019

Activity: Publication peer-review and editorial work typesPublication peer-review

Adèle D. Laurent

Laurence Leherte (Host)
18 Feb 201920 Feb 2019

Activity: Hosting a visitor typesHosting a researcher

Student theses

Analyse et modélisation de nouveaux inhibiteurs non nucléosidiques de la transcriptase inverse du virus de l'immunodéficience humaine de type 1 (VIH-1)

Author: Boland, S., 27 Feb 2004

Supervisor: Durant, F. (Supervisor), Andre, J. (Jury), Hevesi, L. (Jury), Wouters, J. (Jury) & Burny, A. (External person) (Jury)

Student thesis: Doc typesDoctor of Sciences

File

Apport de la chimie calculatoire à la modélisation de diagrammes de phases.

Author: Fontaine, M., 2003

Supervisor: Andre, J. (Supervisor), Perpete, É. (Jury), Sporken, R. (Jury), ADJIMAN, C. (External person) (Jury) & Charlot, M. (External person) (Jury)

Student thesis: Doc typesDoctor of Sciences

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

Author: Charlier, C., 15 Feb 2006

Supervisor: Wouters, J. (Supervisor), Durant, F. (Co-Supervisor), Dogne, J. (Jury), Vercauteren, D. (Jury), Hennichart, J. (External person) (Jury) & Moureau, F. (External person) (Jury)

Student thesis: Doc typesDoctor of Sciences

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