Pascal Muller

AliX 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.

Sector: Biotech

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

Sector: Associations

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

Sector: Universities and higher education institutions

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.

Sector: Health and pharmaceutical

Sector: Transportation services

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

Sector: Health and pharmaceutical

Sector: Pharmaceutical

Sector: Pollution and Waste Management

Sector: Fresh and perishable products

Sector: Pollution and Waste Management