Hi,
many approaches exists and can be classified in 3
groups:
1) Protein based. By comparing proteins, known binders from
protein A can be predicted as binder of protein B if protein A and protein B are
very similar.
2) ligand based. By comparing ligands, if a molecule is similar to a known
binder of a protein, then the molecule can be exected to bind this
protein.
3) protein ligand based. By comparing complexes of protein
ligands, target fishing is possible. In adittion, inverse docking is also
possible.
best regards
nathanael weill
--
Nathanael WEILL, PhD
McGill
University
Department of Chemistry
Otto Maass Building
801 Sherbrooke
St. West, lab 206A
Montreal, QC, Canada
H3A 2K6
Phone: 514-398-5501
Fax: 514-398-3797
nathanael.weill^-^mail.mcgill.ca