Article ID: 1478 - Last Modified: May 1, 2012
Does Glide reward the interaction between a neutral acceptor atom of a ligand and a metal ion?
Glide rewards the interaction of metal ions with ligand atoms that have a formal negative charge. This is the "Metal" component of the GlideScore. From Suite 2011 on, this reward is increased by 25% for bidentate ligands, where only one of the atoms has a formal negative charge, but the other has a significant partial negative charge. The two coordinating atoms must be separated by more than two bonds.
#600: I'm studying a protein containing heme. Can Glide handle the metal coordination if the ligand is not anionic?
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