Ontology highlight
ABSTRACT:
SUBMITTER: Mahnam K
PROVIDER: S-EPMC4292183 | biostudies-literature | 2014 Jan-Feb
REPOSITORIES: biostudies-literature
Mahnam K K Saffar B B Mobini-Dehkordi M M Fassihi A A Mohammadi A A
Research in pharmaceutical sciences 20140101 1
Heavy metal toxicity has serious adverse effects on the environment. The metal sequestering characteristics of a novel metal binding peptide (Glu-Cys)11 Gly+linker+hexahistidine (EC11:His6) was investigated to determine if it can absorb Cu(2+) or Zn(2+) cations. Molecular dynamics simulations were carried out using a model of 6 Cu(2+) or Zn(2+) and other ions enclosed in a fully hydrated simulation box with the designed peptide. Totally, 240 nano second (ns) simulations were done in three phases ...[more]