Density-functional theory study of gramicidin A ion channel geometry and electronic properties

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Density-functional theory study of gramicidin A ion channel geometry and electronic properties

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bilimsel makale

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scientific article published on 25 September 2013

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Density-functional theory stud ...... etry and electronic properties

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Density-functional theory stud ...... try and electronic properties.

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Density-functional theory stud ...... etry and electronic properties

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Density-functional theory stud ...... try and electronic properties.

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Density-functional theory stud ...... etry and electronic properties

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Density-functional theory stud ...... try and electronic properties.

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P1476

Density-functional theory stud ...... etry and electronic properties

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P2093

David R Bowler

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Michael J Gillan

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P2860

Simplified method for calculating the energy of weakly interacting fragments

Generalized Gradient Approximation Made Simple

Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints.

Modeling and simulation of ion channels.

Continuum electrostatics fails to describe ion permeation in the gramicidin channel.

Structure of gramicidin a in a lipid bilayer environment determined using molecular dynamics simulations and solid-state NMR data.

Role of protein flexibility in ion permeation: a case study in gramicidin A.

Ab initio molecular dynamics study of proton transfer in a polyglycine analog of the ion channel gramicidin A.

P304

20130547

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P31

scholarly article

P356

10.1098/RSIF.2013.0547

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P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

Tsuyoshi Miyazaki

M Todorović

P577

2013-09-25T00:00:00Z

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257074626

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24068174

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3808544

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