Water in ion channels and pores--simulation studies.

Journal article

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 mo...

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Authors: Sansom, MS; Bond, P; Beckstein, O; Biggin, P; Faraldo-Gómez, J

• Publication status: Published
• Journal: Novartis Foundation symposium
• Volume: 245
• Pages: 66-168
• Publication date: 2002-01-01
• EISSN: 1935-4657
• ISSN: 1528-2511
• Language: English
• Keywords: Models, Molecular; Lipid Bilayers; Ion Channels; Computer Simulation; Water; Protein Structure, Secondary