Water in ion channels and pores--simulation studies.

  title={Water in ion channels and pores--simulation studies.},
  author={Mark S. P. Sansom and Peter Bond and Oliver Beckstein and Philip C. Biggin and Jos{\'e} D. Faraldo-G{\'o}mez and Richard J. Law and George Patargias and D. Peter Tieleman},
  journal={Novartis Foundation symposium},
  pages={66-78; discussion 79-83, 165-8}
The microscopic properties of water in narrow pores are relevant to the function of ion channels and related membrane transport proteins. The emergence of several high-resolution structures allows one to perform molecular dynamics simulation studies of water in such pores. Simulations of bundles of parallel alpha-helical peptides (e.g. alamethicin) have enabled development of methodologies and concepts appropriate to such investigations. In the narrow channels formed by such bundles, water… CONTINUE READING