|Molecular Docking Server
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|Author:||sladonnafyr [ Tue Oct 17, 2017 3:17 pm ]|
|Post subject:||Chalcogen bonding|
How about adding detection of protein-ligand chalcogen bonding in the docking results? There is a lot of interest in Ch (S, Se, or Te) ---O, N (protein) interactions for drug design. A recent paper of mine describes some interesting ones in the PDB: M. O. Mitchell. Discovering protein-ligand chalcogen bonding in the protein data bank using endocyclic sulfur-containing heterocycles as ligand sesrch subsets. J. Mol. Model. 2017, 23(10):287. doi: 10.1007/s00894-017-3452-3.
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