The Reversible Opening of Water Channels in CytochromecModulates the Heme Iron Reduction Potential

This paper reports a combined computational/experimental approach that reveals the reversible opening of two distinct fluctuating cavities in Saccharomyces cerevisiae iso-1-cytochrome c

Carlo Augusto Bortolotti

2012

Scholarcy highlights

  • Most electronic Supporting Information files are available without a subscription to ACS Web Editions
  • The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online
  • Dynamic protein–solvent interactions are fundamental for life processes, but their investigation is still experimentally very demanding
  • Molecular dynamics simulations up to hundreds of nanoseconds can bring to light unexpected events even for extensively studied biomolecules
  • This paper reports a combined computational/experimental approach that reveals the reversible opening of two distinct fluctuating cavities in Saccharomyces cerevisiae iso-1-cytochrome c
  • By means of a mixed quantum mechanics/molecular dynamics theoretical approach, the perturbed matrix method, that allows to reach long simulation times, changes in the reduction potential of the heme Fe3+/Fe2+ couple induced by the opening of each cavity are calculated
  • Such files may be downloaded by article for research use

Need more features? Save interactive summary cards to your Scholarcy Library.