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LILIANE KHADIGE
Doctor,
Tenured Research Scientist Inserm
Recherche - Orsay
Spécialités / domaines
Dynamique moléculaire,
Modelling,
Physics
Functions within Institut Curie:
- Permanent Researcher
Présentation
I am responsible for molecular modeling within our team. We study the movements of biological systems (proteins, nucleic acids, membranes) which can explain their function or, in some cases, their dysfunction. For this, we use molecular dynamics and normal mode analysis.
In addition, I participate in the medicinal chemistry research of our team, by performing virtual screening and docking studies on our target proteins.
Currently, we are developing a website dedicated to G-quadruplexes, which are nucleic acids that play a role in cell proliferation. Our site provides advanced structural characteristics that allow a better understanding of the fold of these entities, as well as the design of drugs targeting them.
Publications
ASC-G4, an algorithm to calculate advanced structural characteristics of G-quadruplexes
Nucleic Acids Research
Deciphering the Mechanism of Inhibition of SERCA1a by Sarcolipin Using Molecular Simulations
Frontiers in Molecular Biosciences
Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds
Journal of Cheminformatics