SAAMCO

Description

SAAMCO (Similarity of Amino Acid Motifs to Compounds) is a robust and efficient workflow for a large-scale screening of small molecules databases against PDB structures. It relies on identifying small molecules with substituents that topologically and structurally resemble key amino acid side chains.


Pages:

View job



Publications:

"Identification of Potential Small Molecule Peptidomimetics Similar to Motifs in Proteins",
I. Baran, R.S. Varekova, L. Parthasarathi, S. Suchomel, F. Casey and D.C. Shields
Journal of Chemical Information and Modeling
47(2),pp464-474

Input options  (Help and example for input format)
Input file: Motifs and sequence information


Input file: Extra PDB structure file
          or           Input text: Motifs and sequence information

CLICK TO FILL INPUT BOX WITH AN EXAMPLE

Search databases
FDA NCI cancer line screened NCI cancer line screened (active)
CHEMPDB


Search Options
Exact motifs only RMSD cutoff