Ion mobility mass spectrometry and molecular dynamics simulations unravel the conformational stability and coordination dynamics of human metallothionein-2 species
Ion mobility-mass spectrometry (IM-MS) unraveled different conformational stability in Zn4-7-metallothionein-2. We introduced a new molecular dynamics simulations approach that permitted the exploration of all conformational space confirming the experimental data, and revealed that not only the Zn-S bonds but also -{beta} domain interaction modulates protein unfolding.
biochemistry↗