Does anyone know of modeling packages that can estimate the strength of interactions between S-S or S-O atoms in protein-ligand interactions?

Hi All, I'm trying to predict whether heteroatoms (S or O) in my ligand can form non-bonding interactions (See JACS, 2013, 135, 10475) with amino acids such as a Methionine or Cysteine in my...

01 January 2015 4,833 4 View