Zobrazeno 1 - 10
of 20
pro vyhledávání: '"W A T Gibby"'
Autor:
Peter V. E. McClintock, Dmitry G. Luchinsky, Carlo Guardiani, W. A. T. Gibby, Miraslau L. Barabash, Alex Smolyanitsky
Publikováno v:
Communications Materials, Vol 2, Iss 1, Pp 1-9 (2021)
Communications Materials
Communications Materials
In order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex pat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a6334e3078c438029205ba1e2db7120
https://doi.org/10.1038/s43246-021-00162-x
https://doi.org/10.1038/s43246-021-00162-x
Autor:
Olena Fedorenko, Peter V. E. McClintock, Dmitry G. Luchinsky, Carlo Guardiani, Thomas Mumby, Miraslau L. Barabash, Stephen K. Roberts, W. A. T. Gibby
Publikováno v:
Entropy
Entropy, Vol 23, Iss 249, p 249 (2021)
Volume 23
Issue 2
Entropy, Vol 23, Iss 249, p 249 (2021)
Volume 23
Issue 2
Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na+ conduction through the prokaryotic Na+ channel NaChBac. This work is extended th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d4e3945746383a88b965ca06e422520
http://europepmc.org/articles/PMC7926348
http://europepmc.org/articles/PMC7926348
Autor:
Carlo Guardiani, W. A. T. Gibby, Peter V. E. McClintock, Miraslau L. Barabash, Dmitry G. Luchinsky
We introduce a statistical and linear response theory of selective conduction in biological ion channels with multiple binding sites and possible point mutations. We derive an effective grand-canonical ensemble and generalised Einstein relations for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62988430b693d57ca6c49c449295c68c
http://hdl.handle.net/11573/1634034
http://hdl.handle.net/11573/1634034
Autor:
Peter V. E. McClintock, Olena Fedorenko, Miraslau L. Barabash, W. A. T. Gibby, I. Kh. Kaufman, Dmitry G. Luchinsky, Stephen K. Roberts
Publikováno v:
Biochimica et biophysica acta. Biomembranes. 1862(9)
Mutation-induced transformations of conductivity and selectivity in NaChBac bacterial channels are studied experimentally and interpreted within the framework of ionic Coulomb blockade (ICB), while also taking account of resonant quantised dehydratio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f69082906ebf971e7bff5a55c9096362
https://pubmed.ncbi.nlm.nih.gov/32360369
https://pubmed.ncbi.nlm.nih.gov/32360369
Autor:
W. A. T. Gibby, Dmitry G. Luchinsky, Peter V. E. McClintock, Carlo Guardiani, Miraslau L. Barabash
Selective permeation through graphene nanopores is attracting increasing interest as an efficient and cost-effective technique for water desalination and purification. In this work, using umbrella sampling and molecular dynamics simulations with cons
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16e2b1c3bffa35cea711b575d339dab4
https://doi.org/10.1039/C9RA03025E
https://doi.org/10.1039/C9RA03025E
Autor:
Peter V. E. McClintock, W. A. T. Gibby, Dmitry G. Luchinsky, Carlo Guardiani, Igor A. Khovanov, Miroslav Barabash
Publikováno v:
EasyChair Preprints.
We analyze selective ionic conduction through an artificial nanopore in a single graphene sheet, using molecular dynamics simulations and the prehistory probability distribution. We assess position-dependent changes in the number and orientation of w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6180c9466ffadfa43ad721b5af2a516
https://doi.org/10.29007/46wd
https://doi.org/10.29007/46wd
From the potential of the mean force to a quasiparticle's effective potential in narrow ion channels
Autor:
W. A. T. Gibby, Peter V. E. McClintock, Carlo Guardiani, Miraslau L. Barabash, Dmitry G. Luchinsky
We consider the selective permeation of ions through narrow water-filled channels in the presence of strong interaction between the ions. These interactions lead to highly correlated ionic motion, which can conveniently be described via the concept o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ef7aa1402f12a5143fbcae8738fa554
http://hdl.handle.net/11573/1634043
http://hdl.handle.net/11573/1634043
Autor:
Peter V. E. McClintock, Dmitry G. Luchinsky, W. A. T. Gibby, Miraslau L. Barabash, Carlo Guardiani, Igor A. Khovanov
We study the highly-concerted motion of ions in anarrow biological ion channel (KcsA) by considering the notionof a quasiparticle, with specific focus on the transition process.Namely, we show that the ion entering or exiting the channelis correlated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4387de99cb0dffc2efbd69b8989c128
Autor:
Dmitry G. Luchinsky, Peter V. E. McClintock, W. A. T. Gibby, Miraslau L. Barabash, Carlo Guardiani
Publikováno v:
2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC).
The problem of predicting selective transport of ions through nano-pores from their structure in the biological and nano-technological systems is addressed. We use a molecular dynamics simulation to provide insight into the key physical parameters of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f09724aa85d9378e093b8abb03598583
https://doi.org/10.1109/nmdc.2018.8605825
https://doi.org/10.1109/nmdc.2018.8605825