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• W2055408214 endingPage "205101" @default.
• W2055408214 startingPage "205101" @default.
• W2055408214 abstract "Water self-diffusion and the dipolar response of the selectivity filter within human aquaporin 4 have been studied using molecular dynamics (MD) simulations in the absence and presence of pulses of external static and alternating electric fields. The pulses were approximately 50 and 100 ns in duration and 0.0065 V/Å in (r.m.s.) intensity and were either static or else 2.45 or 100 GHz in frequency and applied both along and perpendicular to the channels. In addition, the relaxation of the aquaporin, water self-diffusion and gating dynamics following cessation of the impulses was studied. In previous work it was determined that switches in the dihedral angle of the selectivity filter led to boosting of water permeation events within the channels, in the presence of identical external static and alternating electric fields, although applied continuously. Here the application of field impulses (and subsequently, upon removal) has shown that it is the dipolar orientation of the histidine-201 residue in the selectivity filter which governs the dihedral angle, and hence influences water self-diffusion; this constitutes an appropriate order parameter. The dipolar response of this residue to the applied field leads to the adoption of four distinct states, which we modelled as time-homogeneous Markov jump processes, and may be distinguished in the potential of mean force (PMF) as a function of the dipolar orientation of histidine-201. The observations of enhanced dipolar flipping of H201 serve to explain increased levels of water self-diffusion within aquaporin channels during, and immediately following, field impulses, although the level of statistical certainty here is lower. Given the appreciable size of the energy barriers evident in PMFs computed directly from deterministic MD (whether in the absence or presence of external fields), metadynamics calculations were undertaken to explore the free-energy landscape of histidine-201 orientation with greater accuracy and precision. These indicate that electric fields do alter the free-energy profile of the H201 side-chain orientation, wherein a perturbation of the symmetric bimodal state evident in the zero-field case is observed. These effects are dependent on the field intensities." @default.
• W2055408214 created "2016-06-24" @default.
• W2055408214 creator A5002261086 @default.
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• W2055408214 creator A5065331637 @default.
• W2055408214 creator A5067563238 @default.
• W2055408214 creator A5091195485 @default.
• W2055408214 date "2013-11-28" @default.
• W2055408214 modified "2023-10-16" @default.
• W2055408214 title "Human aquaporin 4 gating dynamics under and after nanosecond-scale static and alternating electric-field impulses: A molecular dynamics study of field effects and relaxation" @default.
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• W2055408214 cites W1964254014 @default.
• W2055408214 cites W1964612104 @default.
• W2055408214 cites W1965956460 @default.
• W2055408214 cites W1966041739 @default.
• W2055408214 cites W1972427604 @default.
• W2055408214 cites W1972758026 @default.
• W2055408214 cites W1976499671 @default.
• W2055408214 cites W1980363465 @default.
• W2055408214 cites W1993402893 @default.
• W2055408214 cites W1994667163 @default.
• W2055408214 cites W1995997560 @default.
• W2055408214 cites W2006605097 @default.
• W2055408214 cites W2009703891 @default.
• W2055408214 cites W2012935866 @default.
• W2055408214 cites W2016969237 @default.
• W2055408214 cites W2017835622 @default.
• W2055408214 cites W2019650166 @default.
• W2055408214 cites W2020828286 @default.
• W2055408214 cites W2021401823 @default.
• W2055408214 cites W2025459574 @default.
• W2055408214 cites W2027408247 @default.
• W2055408214 cites W2029667189 @default.
• W2055408214 cites W2038270621 @default.
• W2055408214 cites W2044699657 @default.
• W2055408214 cites W2045239955 @default.
• W2055408214 cites W2046049116 @default.
• W2055408214 cites W2049653084 @default.
• W2055408214 cites W2052922251 @default.
• W2055408214 cites W2053686704 @default.
• W2055408214 cites W2058498559 @default.
• W2055408214 cites W2061868672 @default.
• W2055408214 cites W2062393760 @default.
• W2055408214 cites W2062550012 @default.
• W2055408214 cites W2065222808 @default.
• W2055408214 cites W2066534751 @default.
• W2055408214 cites W2067174909 @default.
• W2055408214 cites W2067628314 @default.
• W2055408214 cites W2068390752 @default.
• W2055408214 cites W2074206013 @default.
• W2055408214 cites W2075427360 @default.
• W2055408214 cites W2075460992 @default.
• W2055408214 cites W2078936885 @default.
• W2055408214 cites W2079685391 @default.
• W2055408214 cites W2080589709 @default.
• W2055408214 cites W2081892296 @default.
• W2055408214 cites W2082222214 @default.
• W2055408214 cites W2085820729 @default.
• W2055408214 cites W2090488952 @default.
• W2055408214 cites W2092398899 @default.
• W2055408214 cites W2092875784 @default.
• W2055408214 cites W2095536604 @default.
• W2055408214 cites W2098592361 @default.
• W2055408214 cites W2102589827 @default.
• W2055408214 cites W2103511429 @default.
• W2055408214 cites W2105546584 @default.
• W2055408214 cites W2106140689 @default.
• W2055408214 cites W2107452580 @default.
• W2055408214 cites W2113881348 @default.
• W2055408214 cites W2114239896 @default.
• W2055408214 cites W2114524505 @default.
• W2055408214 cites W2118021064 @default.
• W2055408214 cites W2118212514 @default.
• W2055408214 cites W2121224790 @default.
• W2055408214 cites W2121250640 @default.
• W2055408214 cites W2122590911 @default.
• W2055408214 cites W2136288803 @default.
• W2055408214 cites W2137578980 @default.
• W2055408214 cites W2145611758 @default.
• W2055408214 cites W2149655632 @default.
• W2055408214 cites W2150532276 @default.
• W2055408214 cites W2150981663 @default.
• W2055408214 cites W2154422838 @default.
• W2055408214 cites W2159497832 @default.
• W2055408214 cites W2161838654 @default.
• W2055408214 cites W2161991695 @default.
• W2055408214 cites W2166855537 @default.
• W2055408214 cites W2320069228 @default.
• W2055408214 cites W3206572385 @default.
• W2055408214 cites W4245744705 @default.
• W2055408214 doi "https://doi.org/10.1063/1.4832383" @default.
• W2055408214 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24289379" @default.
• W2055408214 hasPublicationYear "2013" @default.
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