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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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