title: On the classical vibrational coherence of carbonyl groups in the selectivity filter backbone of the KcsA ion channel.
abstract: It has been suggested that quantum coherence in the selectivity filter of ion channel may play a key role in fast conduction and selectivity of ions. However, it has not been clearly elucidated yet why classical coherence is not sufficient for this purpose. In this paper, we investigate the classical vibrational coherence between carbonyl groups oscillations in the selectivity filter of KcsA ion channels based on the data obtained from molecular dynamics simulations. Our results show that classical coherence plays no effective role in fast ionic conduction.
authors.affiliation: Department of Physics, Isfahan University of Technology, Isfahan 84156-83111, Iran.|Foundations of Physics Group, School of Physics, Institute for Research in Fundamental Sciences (IPM), Tehran 19395-5531, Iran.
authors.forename: V
authors.initials: V
authors.lastname: Salari
authors.affiliation: Department of Physics, University of Shahrekord, Shahrekord, 88186/3414, Iran.
authors.forename: M
authors.initials: M
authors.lastname: Sajadi
authors.affiliation: Department of Physics, Isfahan University of Technology, Isfahan 84156-83111, Iran.
authors.forename: H
authors.initials: H
authors.lastname: Bassereh
authors.affiliation: Department of Physical Sciences, Grant MacEwan University, Edmonton T5J 4S2, Canada.
authors.forename: V
authors.initials: V
authors.lastname: Rezania
authors.affiliation: Department of Physics, Isfahan University of Technology, Isfahan 84156-83111, Iran.
authors.forename: M
authors.initials: M
authors.lastname: Alaei
authors.affiliation: Department of Physics and Experimental Oncology, University of Alberta, Alberta T6G 2J1, Canada.
authors.forename: J A
authors.initials: JA
authors.lastname: Tuszynski
mesh_terms: D000818:Animals; D001426:Bacterial Proteins / Q000737:chemistry / Q000502:physiology*; D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D015640:Ion Channel Gating / Q000502:physiology*; D007473:Ion Channels / Q000737:chemistry* / Q000235:genetics / Q000502:physiology*; D008958:Models, Molecular; D017711:Nonlinear Dynamics; D010100:Oxygen; D015221:Potassium Channels; D017433:Protein Structure, Secondary; D013223:Statistics as Topic; D014732:Vibration
chemical_list: D001426:Bacterial Proteins; D007473:Ion Channels; D015221:Potassium Channels; C107790:prokaryotic potassium channel; D002244:Carbon; D010100:Oxygen
keywords: KcsA ion channel; Pearson correlation; carbonyl groups; degree of coherence; selectivity filter; vibrational frequency