An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations

J Gen Physiol. 2012 Dec;140(6):587-94. doi: 10.1085/jgp.201210873.

Abstract

Developing an understanding of the mechanism of voltage-gated ion channels in molecular terms requires knowledge of the structure of the active and resting conformations. Although the active-state conformation is known from x-ray structures, an atomic resolution structure of a voltage-dependent ion channel in the resting state is not currently available. This has motivated various efforts at using computational modeling methods and molecular dynamics (MD) simulations to provide the missing information. A comparison of recent computational results reveals an emerging consensus on voltage-dependent gating from computational modeling and MD simulations. This progress is highlighted in the broad context of preexisting work about voltage-gated channels.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Computer Simulation
  • Ion Channel Gating / physiology*
  • Ion Channels / chemistry
  • Ion Channels / metabolism*
  • Kv1.2 Potassium Channel / chemistry
  • Kv1.2 Potassium Channel / metabolism
  • Models, Molecular
  • Molecular Dynamics Simulation*
  • Potassium Channels, Voltage-Gated / chemistry
  • Potassium Channels, Voltage-Gated / metabolism
  • Protein Conformation
  • Voltage-Gated Sodium Channels / chemistry
  • Voltage-Gated Sodium Channels / metabolism

Substances

  • Ion Channels
  • Kv1.2 Potassium Channel
  • Potassium Channels, Voltage-Gated
  • Voltage-Gated Sodium Channels