Oxford University, Structural Bioinformatics & Computational Biochemistry Unit
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Prof. Mark S.P. Sansom

Structural Bioinformatics and Computational Biochemistry Unit
Dept. of Biochemistry
University of Oxford
South Parks Road

**Note: new telephone/fax numbers**
Telephone: (0)1865-613306
Fax: (0)1865-613238

e-mail: mark.sansom@bioch.ox.ac.uk

Portrait of Prof Sanson
division line

Ion channels and membrane proteins - simulations, modelling & bioinformatics

The overall theme of work in my group is to employ a range of computational techniques (structural bioinformatics, molecular modelling, MD simulations, etc.) to membrane proteins. Membrane proteins play keys role in cell biology e.g. as ion channels, drug receptors, and solute transporters. Indeed, it has been estimated that ~25% of genes code for membrane proteins, and that ca. 50% of potential new drug targets are membrane proteins. In particular we are interested in ion channels, membrane transport proteins, and bacterial outer membrane proteins.

For current members of my group see: http://sbcb.bioch.ox.ac.uk/members.php

Research in my group is currently funded by: BBSRC, EPSRC, MRC, The Wellcome Trust

Collaborative  Projects

BioSimGrid: Distributed database for biomolecular simulations

IntBioSim:  Integrated approach to multi-level biomolecular simulations

Some recent publications

Rapedius M., Paynter J.J., Fowler P.W., Shang L., Sansom M.S., Tucker S.J., Baukrowitz T. (2008) Control of pH and PIP2 gating in heteromeric Kir4.1/Kir5.1 channels by H-Bonding at the helix-bundle crossing. Channels 1:327-30

Wallace E.J., Sansom M.S. (2008) Blocking of carbon nanotube based nanoinjectors by lipids: a simulation study. Nano Lett. 8:2751-6

Bond P.J., Parton D.L., Clark J.F., Sansom M.S. (2008) Coarse-grained simulations of the membrane-active antimicrobial Peptide maculatin 1.1. Biophys J. 95:3802-15

Wee C.L., Gavaghan D., Sansom M.S. (2008) Lipid bilayer deformation and the free energy of interaction of a Kv channel gating-modifier toxin. Biophys J. 95:3816-26

Carpenter T., Bond P.J., Khalid S., Sansom M.S. (2008) Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel. Biophys J. 95:3790-801

Rodrigues M.L., Scott K.A., Sansom M.S., Pereira I.A., Archer M. (2008) Quinol oxidation by c-type cytochromes: structural characterization of the menaquinol binding site of NrfHA. J Mol Biol. 381:341-50

Stansfeld P.J., Grottesi A., Sands Z.A., Sansom M.S., Gedeck P., Gosling M., Cox B., Stanfield P.R., Mitcheson J.S., Sutcliffe M.J. (2008) Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations. Biochemistry. 47:7414-22

de Wet H., Proks P., Lafond M., Aittoniemi J., Sansom M.S., Flanagan S.E., Pearson E.R., Hattersley A.T., Ashcroft F.M. (2008) A mutation (R826W) in nucleotide-binding domain 1 of ABCC8 reduces ATPase activity and causes transient neonatal diabetes. EMBO Rep. 9:648-54

Wee C.L., Balali-Mood K., Gavaghan D., Sansom M.S. (2008) The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations. Biophys J. 95:1649-57

Chen M., Khalid S., Sansom M.S., Bayley H. Outer membrane protein G: Engineering a quiet pore for biosensing. Proc Natl Acad Sci U S A. 105:6272-7

Last updated 10/10/08