Laboratory of Molecular Biophysics Graduate Student Opportunities.

Graduate Student Opportunities.

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Membrane proteins - simulations and structural bioinformatics

• Molecular dynamics simulations of ion channels and related membrane proteins
• Structural bioinformatics of membrane proteins

Selected references.

Arinaminpathy Y, Sansom MS, Biggin PC. Binding site flexibility: Molecular simulation of partial and full agonists within a glutamate receptor. Mol Pharmacol. 2005 Oct 11; [Epub ahead of print]

Beckstein O, Sansom MS. The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological pores. Phys Biol. 2004 Jun;1(1-2):42-52.

Grottesi A, Sands ZA, Sansom MS. Potassium channels: complete and undistorted. Curr Biol. 2005 Sep 20;15(18):R771-4.

Law RJ, Capener C, Baaden M, Bond PJ, Campbell J, Patargias G, Arinaminpathy Y, Sansom MS. Membrane protein structure quality in molecular dynamics simulation. J Mol Graph Model. 2005 Oct;24(2):157-65.

Amiri S, Tai K, Beckstein O, Biggin PC, Sansom MS. The alpha7 nicotinic acetylcholine receptor: molecular modelling, electrostatics, and energetics. Mol Membr Biol. 2005 May-Jun;22(3):151-62.

Proks P, Girard C, Haider S, Gloyn AL, Hattersley AT, Sansom MS, Ashcroft FM. A gating mutation at the internal mouth of the Kir6.2 pore is associated with DEND syndrome. EMBO Rep. 2005 May;6(5):470-5.

Haider S, Grottesi A, Hall BA, Ashcroft FM, Sansom MS. Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating. Biophys J. 2005 May;88(5):3310-20.

Ulmschneider MB, Sansom MS, Di Nola A. Properties of integral membrane protein structures: derivation of an implicit membrane potential. Proteins. 2005 May 1;59(2):252-65. PMID: 15723347