Response to "Comment on 'Free energy simulations of single and double ion occupancy in gramicidin A' " [J. Chem. Phys. 128, 227101 (2008)]

Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/7397

Title:	Response to "Comment on 'Free energy simulations of single and double ion occupancy in gramicidin A' " [J. Chem. Phys. 128, 227101 (2008)]
Authors:	Baştuğ, Turgut Kuyucak, Serdar
Keywords:	[No Keywords]
Publisher:	Amer Inst Physics
Abstract:	We respond to the criticism that one-dimensional (1D) construction of the potential of mean force (PMF) of ions in channels is flowed. Comparison of the 1D PMF results in the gramicidin A channel with independent free energy difference calculations obtained by using the free energy perturbation and thermodynamic integration methods shows complete agreement, thus providing a justifications for the 1D PMF approximation.
URI:	https://doi.org/10.1063/1.2931571 https://hdl.handle.net/20.500.11851/7397
ISSN:	0021-9606
Appears in Collections:	Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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