Jean-Loup M. Faulon

I am interested by the applications of informatics in chemistry and biology.  I develop algorithms to search and enumerate chemical and biological structures and networks constrained by experimental data. The applications of my work include structure inference of natural products (including protein structures), reaction networks inference (including gene and protein networks), structure activity/property relationships (QSARs, protein function and enzymatic activity prediction), and rational molecular design (inverse-QSAR, protein design).

Cheminformatics:

• Molecular design : QSAR and inverse-QSAR with molecular signatures
• Chemical structure and network generation: Counting, enumerating, and sampling the chemical space
• Structure inference of natural products with molecular signatures
• Polymer design

Bioinformatics:

• Protein function predictions with signature kernels
  
• Biological network inference
  
• Protein structure determination
  

• List of Publications 

The molecular descriptor signature, which describe atoms' neighborhood, is used to predict chemical compounds properties/activities, and to reverse engineer molecules. Applied to biological sequences the descriptor is a k-mer (or k-work). The k-mer signature descriptor has been applied for protein structure prediction, protein-protein interaction (PPI), and sequence design.

• Molecular Signature Publications & Downloads

Computational Systems BiologyDept.
Sandia National Laboratories
PO Box 5800
Albuquerque, NM 87185-1413

MS 1413
Sandia National Laboratories
1515 Eubank SE
Albuquerque, NM 87123

Work: (505) 284-0770

FAX : (925) 284-1323
jfaulon@sandia.gov

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