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Ion channel stability and hydrogen bonding molecular modelling of channels formed by synthetic alamethicin analogues

Abstract:

Several analogues of the channel-forming peptaibol alamethicin have been demonstrated to exhibit faster switching between channel substates than does unmodified alamethicin. Molecular modelling studies are used to explore the possible molecular basis of these differences. Models of channels formed by alamethicin analogues were generated by restrained molecular dynamics in vacuo and refined by short molecular dynamics simulations with water molecules within and at either mouth of the channe...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1016/S0005-2736(97)00163-6

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Institution:
University of Oxford
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Institution:
University of Oxford
H. Duclohier More by this author
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Institution:
University of Oxford
Department:
Medical Sciences Division - Biochemistry
Wellcome Trust More from this funder
Franco-British Alliance More from this funder
Publisher:
Elsevier Science B.V.
Journal:
Biochimica et Biophysica Acta (BBA) - Biomembranes Journal website
Volume:
1330
Issue:
2
Pages:
103–109
Publication date:
1997-12-05
DOI:
ISSN:
0006-291X
URN:
uuid:73382af3-a801-4c3a-adbe-431b11296087
Local pid:
ora:8090

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