Oxford University, Structural Bioinformatics & Computational Biochemistry Unit
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Welcome to the Structural Bioinformatics and Computational Biochemistry Unit


We are interested in using computational methods to explore the relationship between structure and function in membrane proteins. This is important, as membrane proteins account for ~25% of all genes, and play key roles in the physiology of cells. Indeed, membrane proteins are targets for ~50% of drugs, and mutations in membrane proteins may result in diseases ranging from diabetes to cystic fibrosis.

Computer simulations allow membrane proteins to 'come alive' - that is, we can simulate the motions of membrane proteins and use this to explore the relationship between (static) structure and dynamic function. This is relevant to a number of areas ranging from biomedicine to nanotechnology.

Follow the links above to find out more about who we are and the work that we do.


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Latest Publications:

García-Fandiño, R. and Sansom, M.S. (2012)
Designing biomimetic pores based on carbon nanotubes.
Proc. Natl. Acad. Sci. U.S.A. (abstract)

Heifetz, A., Morris, G.B., Biggin, P.C., Barker, O., Fryatt, T. Bentley, J., Hallett, D., Manikowski, D., Pal, S. , Reifegerste, R., Slack, M. and Law R. (2012)
Study of Human Orexin-1 and -2 G-Protein-Coupled Receptors with Novel and Published Antagonists by Modeling, Molecular Dynamics Simulations, and Site-Directed Mutagenesis.
Biochemistry (abstract)

Ross, G.A., Morris, G.M. and Biggin, P.C. (2012)
Rapid and accurate prediction and scoring of water molecules in protein binding sites.
PLoS One (abstract)

Parton D.L., Akhmatskaya E.V., and Sansom M.S. (2012)
Multiscale simulations of the antimicrobial peptide maculatin 1.1: Water permeation through disordered aggregates.
J. Phys. Chem. B (abstract)

Andres-Enguix I., Shang L., Stansfeld P.J., Morahan J.M., Sansom M.S., Lafrenière R.G., Roy B., Griffiths L.R., Rouleau G.A., Ebers G.C., Cader Z.M., and Tucker S.J. (2012)
Functional analysis of missense variants in the TRESK (KCNK18) K channel.
Sci. Rep. (abstract)

Norimatsu Y., Ivetac A., Alexander C., Kirkham J., O'Donnell N., Dawson D.C., and Sansom M.S. (2012)
Cystic fibrosis transmembrane conductance regulator: A molecular model defines the architecture of the anion conduction path and locates a "bottleneck" in the pore.
Biochemistry (abstract)

Bavro, V.N., De Zorti, R., Schmidt, M.R., Muniz, J.R., Zubcevic, L., Sansom M.S. Venien-Bryan, C. Tucker, S.J. (2012)
Structure of a KirBac potassium channel with an open bundle crossing indicates a mechanism of channel gating.
Nat. Struct. Mol. Biol. (abstract)

More SBCB publications available from PubMed




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Last updated 10 April 2012