K+ channels: gating mechanisms and lipid interactions

Thesis

Computational methods, including homology modelling, in-silico dockings, and molecular dynamics simulations have been used to study the functional dynamics and interactions of K⁺ channels. Molecular models were built of the inwardly rectifying K⁺ channel Kir2.2, the bacterial homolog K⁺ channel KirBac3.1, and the twin pore (K2P) K⁺ channels TREK-1 and TRESK. To investigate the electrostatic energy profile of K⁺ permeating thro...

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Authors: Schmidt, M

• Publication date: 2013
• Type of award: DPhil
• Level of award: Doctoral
• Awarding institution: Oxford University, UK
• Language: English
• Keywords: molecular dynamics simulations; ion channel gating; small molecule docking; phosphatidyl inositol phosphates; membrane proteins; homology modelling; complex bilayers; potassium ion channel; Ion channels
• Subjects: Biochemistry; Computational biochemistry; Life Sciences; Molecular biophysics (biochemistry)