Water transport and ion-water interaction in the gramicidin channel
نویسندگان
چکیده
منابع مشابه
Ion transport through gramicidin A. Water structure and functionality.
Molecular Dynamics (MD) simulations were performed on a gramicidin A dimer model representing a transmembrane channel. Different from previous simulations the peptide was in contact with bulk water at both ends of the dimer to guarantee a realistic description of the hydration of the biomolecule. The flexible BJH model for water was employed in the simulations and the gramicidin-water, gramicid...
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The conduction of protons in the hydrogen-bonded chain of water molecules (or "proton wire") embedded in the lumen of gramicidin A is studied with molecular dynamics free energy simulations. The process may be described as a "hop-and-turn" or Grotthuss mechanism involving the chemical exchange (hop) of hydrogen nuclei between hydrogen-bonded water molecules arranged in single file in the lumen ...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1981
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(81)84805-9