Dehydron analysis: quantifying the effect of hydrophobic groups on the strength and stability of hydrogen bonds

摘要: In the past decade, research has demonstrated that defectively packed hydrogen bonds, or "dehydrons," play an important role in protein-ligand interactions and a host of other biochemical phenomena. These results are due large part to development computational techniques identify analyze hydrophobic microenvironments surrounding bonds protein structures. Here, we provide introduction dehydron have been used uncover its biological biomedical significance. We then illustrate how dehydron-based analysis can be as basis for reengineering pharmaceutical compounds improve their binding specificities.