Energetics transport in a peptide nanotube
Article Abstract:
A synthetic membrane channel formed by cyclic peptides of alternated D- and L-hydrophobic [alpha]-amino acids is described and molecular dynamics simulations are used for measuring the free energy delineating the translocation of a sodium ion along the conduction pathway. The free-energy profiles that underly the permeation of the open-ended tubular structure has depended not only on the characteristics of the latter but also on the location of the mouth of the synthetic channel with respect to the membrane surface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
User Contributions:
Comment about this article or add new information about this topic:
Beyond lattice models of activated transport in zeolites: high-temperature molecular dynamics of self-diffusion and cooperative diffusions of benzene in NaX
Article Abstract:
A high-temperature molecular dynamics has been employed to investigate self-transport and cooperative transport of benzene in NaX. The benzene-NaX force field has been refined for use with framework force field for aluminosilicates.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Polymer electrolyte membranes incorporated with nanometer-size particles of Pt and/or metal-oxides: experimental analysis of the self-humidification and suppression of gas-crossover in fuel cells
- Abstracts: Microscopic structure of phospholipid bilayers: Comparison between molecular dynamics simulations and wide-angle X-ray spectra
- Abstracts: Inherent structure analysis of protein folding. Influence of Go-like interactions on global shapes of energy landscapes in [beta]-barrel forming model proteins: inherent structure analysis and statistical temperature molecular dynamics simulation
- Abstracts: Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 2. Tests with simple spherical systems
- Abstracts: An efficient deformation-based global optimization method for off-lattice polymer chains: self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to united-residue polypeptide chains