Ontology highlight
ABSTRACT:
SUBMITTER: Zhang J
PROVIDER: S-EPMC3383645 | biostudies-literature | 2012 Apr
REPOSITORIES: biostudies-literature
Zhang Jiajing J Yang Wei W Piquemal Jean-Philip JP Ren Pengyu P
Journal of chemical theory and computation 20120102 4
As the second most abundant cation in human body, zinc is vital for the structures and functions of many proteins. Zinc-containing matrix metalloproteinases (MMPs) have been widely investigated as potential drug targets in a range of diseases ranging from cardiovascular disorders to cancers. However, it remains a challenge in theoretical studies to treat zinc in proteins with classical mechanics. In this study, we examined Zn(2+) coordination with organic compounds and protein side chains using ...[more]