Pascal Muller

NovAliX is a contract research organization specialized in protein structure determination by X-ray crystallography and structure-based drug design. We offer a range of services including protein X-ray structure determination, fragment-based drug design, pure protein delivery, and ligand screening using non-covalent mass spectrometry.

I am in charge of molecular modeling, for in silico determination of ligand of interest and their optimisation, in collaboration with chemists and biologists. I support chemical series and analyse structure-activity relationships.

Active member of Addal, the alsacian association of young researchers.

Teaching assistant in organic synthesis courses, in 2nd year of pharmacy studies.

PhD candidate in Université Louis Pasteur, Strasbourg.
Team "Bioinformatics of the drug"
http://bioinfo-pharma.u-strasbg.fr

Research area: In silico drug design

Inverse virtual screening (high-throughput docking). Collaboration with chemists.

Competences in molecular modeling and chemoinformatics:
- Unix, Linux, Windows
- Docking (Gold, Glide, FlexX), virtual screening, proteins-ligand interactions
- Molecular modeling (Sybyl)
- PDB files analysis
- Perl programming

Publications:
- Muller P, Lena G, Boilard E, Bezzine S, Lambeau G, Guichard G, Rognan D. In Silico-Guided Target Identification of a Scaffold-Focused Library: 1,3,5-Triazepan-2,6-diones as Novel Phospholipase A2 Inhibitors. J. Med. Chem. (2006) ASAP Article 10.1021/jm0606589.
- Kellenberger E, Muller P, Schalon C, Bret G, Foata N, Rognan D. (2006) Sc-PDB: an annotated database of Druggable Binding Sites from the Protein Data Bank. J. Chem. Inf. Model., 46:717-27.
- Kellenberger E, Rodrigo J, Muller P, Rognan D. (2004)
Comparative evaluation of eight docking tools for docking and virtual screening accuracy. Proteins, 57:225-42.
- Paul N, Kellenberger E, Bret G, Muller P, Rognan D. (2004) Recovering the true targets of specific ligands by virtual screening of the protein data bank. Proteins, 54:671-80.

Patent:
Guichard, G., Léna, G., Muller, P., Rognan, D., Boilard, E., Lambeau, G. (2006) Compositions and methods for the inhibition of phospholipase A2. Patent provisional US60/755,626, ImmuPharma.

Communication:
Muller, P., Lena, G., Bezzine, S., Boilard, E., Lazdunski, M., Lambeau, G., Guichard, G. and Rognan, D. In silico-guided target identification for a new molecular scaffold.
(2005) First German Conference on Chemoinformatics, 19. CIC-Workshop, Goslar, Germany.
(2006) Workshop Chemoinformatics in Europe : research and Teaching, Obernai, France. “J. Gasteiger price” for best poster.

Side-effects documentation. Follow-up of side-effect case, contact with physicians.