Publications


Abstracts of (some of) the biochemistry papers

Abstracts of the physics papers

G. R. Smith and M. S. P. Sansom, Dynamic properties of Na+ ions in models of ion channels: a molecular dynamics study. Biophys. J., 75:2767-2782 (1998).

G. R. Smith and M. S. P. Sansom, Effective diffusion coefficients of K+ and Cl- ions in ion channel models. Submitted to Biophys. Chem. (1998).

C. Adcock, G. R. Smith and M. S. P. Sansom, Electrostatics and the ion selectivity of ligand-gated channels Biophys. J., 75:1211-1222 (1998).

K. M. Ranatunga, I. D. Kerr, C. Adcock, G. R. Smith and M. S. P. Sansom, Protein-water-ion interactions in a model of the pore domain of a potassium channel:- a simulation study, Biochim. Biophys. Acta 1370: 1--7 (1998).

M. S. P. Sansom, C. Adcock and G. R. Smith, Modelling and simulation of ion channels: Application to the nicotinic acetylcholine receptor. J. Struct. Biol., 121: 246--262 (1998).

N. P. Mongan, H. A. Baylis, C. Adcock, G. R. Smith, M. S. P. Sansom and D. B. Sattelle, An extensive and diverse gene family of nicotinic acetylcholine receptor $\alpha$-subunits in Caenorhabditis elegans. Receptors and Channels (in press) (1998).

K. M. Ranatunga, C. Adcock, I.D.Kerr, G. R. Smith and M. S. P. Sansom, Ion Channels of biological membranes:- prediction of single-channel conductance. in press: Theoretical Chemical Accounts, Proceedings of Chambery '98 Conference, (1998).

G. R. Smith and M. S. P. Sansom, Molecular dynamics study of water and Na+ ions in the pore region of the nicotinic acetylcholine receptor. Biophys. J., 73: 1364--1381 (1997).

M. S. P. Sansom, G. R. Smith, C. Adcock, and P. C. Biggin, The dielectric properties of water within model transbilayer pores. Biophys. J., 73: 163--173 (1997).

O. S. Smart, J. Breed, G. R. Smith, and M. S. P. Sansom, A novel method for structure-based prediction of ion channel conductance properties. Biophys. J., 72: 1109--1126 (1997).

M. S. P. Sansom, G. R. Smith, O. S. Smart and S. O. Smith, Molecular Dynamics simulations of water-filled phospholamban channels, Biophys. Chem. 69: 269--281 (1997).

M. S. P. Sansom, I. D. Kerr, G. R. Smith and H.S. Son, The influenza A virus M2 channel:- a molecular modelling and simulation study. Virology 233: 163--173 (1997).

G. R. Smith and A. D. Bruce, Multicanonical Monte Carlo study of a structural phase transition, Europhys. Lett. 34: 91--96 (1996).

G. R. Smith and A. D. Bruce, Multicanonical Monte Carlo study of solid-solid phase coexistence in a model colloid, Phys. Rev. E 53: 6530--6543 (1996).

G. R. Smith and A. D. Bruce, A study of the multicanonical Monte Carlo method, J. Phys. A. 28: 6623--6643 (1995).


Conferences


Fifth Liblice Conference on the Statistical Mechanics of Liquids, June 7--12, 1998, Zelezna Ruda, Czech Republic: Talk: The physical properties of water and ions in models of biological ion channels.

Biochemical Society Meeting 665, March 31--April 2, 1998, Southampton, U.K. Poster: Dynamic properties of ions in models of ion channels studied by Molecular Dynamics simulation (abstract published under same title: G. R. Smith and M. S. P. Sansom, Biochem. Soc. Transact. 26: S195 (1998).)

42nd Annual Meeting of the Biophysical Society, February 22--26, 1998, Kansas City, Mo., U.S.A. Short Talk: Dynamic properties of ions in models of ion channels: A Molecular Dynamics study (abstract published under same title: G. R. Smith, C. Adcock and M. S. P. Sansom, Biophys. J. 74: A232 (1998).)

Meeting of the Physiological Society, September 2, 1997, Bristol, U.K. Poster: Computer simulation of water and sodium ions in models of the nicotinic acetylcholine receptor (abstract published under same title: G. R. Smith, C. Adcock and M. S. P. Sansom, J. Physiol. 504P: P158 (1997).)

Biochemical Society Meeting, April 11, 1997, Bath, U.K. Poster: Molecular dynamics study of water and Na+ ions in models of the pore region of the nicotinic acetylcholine receptor (abstract published under same title: G. R. Smith and M. S. P. Sansom, Biochem. Soc. Transact. (1997).)

41st Annual Meeting of the Biophysical Society, March 2--6, 1997, New Orleans, Lo., U.S.A. Poster: Molecular Dynamics study of water and sodium ions in models of the pore region of the nicotinic acetylcholine receptor (abstract published under same title: G. R. Smith and M. S. P. Sansom, Biophys. J. 72: A152 (1997).)

Faraday Discussion No. 103, Hydration processes in Biological and Macromolecular Systems, April 1--3, 1996, Sheffield, U.K. Poster: Study of water in the pore region of the nicotinic acetylcholine receptor.

STATPHYS 18, the 18th IUPAP International Conference on Statistical Physics, August 2--9, 1992, Berlin, Germany.


29/9/98