Gating simulations of ion channels

X-ray structures of K+ channels in several conformations (closed - intermediate - open inactivated) provide excellent insights into different conformations of proteins, however they feature only snapshots of dynamical proteins. Consequently, the transition steps involved in gating remain unknown.
By applying essential dynamics simulations, detailed insights into the dynamics of activation gating of K+ channels can be obtained. This information is expected to be particularly useful to investigate the mechanisms of channelopathy mutations and drug interactions with different channel states.

Funding:
FWF doctoral program "Molecular Drug Targets" grant W1232

 

  • Group members:
  • Dr. Anna Weinzinger (Group leader, MolTag faculty member)
  • Eva-Maria Plessl (Zangerl) (PhD student)

 

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