Water in nanopores and biological channels: a molecular simulation perspective

CI Lynch, S Rao, MSP Sansom - Chemical reviews, 2020 - ACS Publications
This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

Voltage-gated proton channels and other proton transfer pathways

TE Decoursey - Physiological reviews, 2003 - journals.physiology.org
Proton channels exist in a wide variety of membrane proteins where they transport protons
rapidly and efficiently. Usually the proton pathway is formed mainly by water molecules …

Theoretical and computational models of biological ion channels

B Roux, T Allen, S Berneche, W Im - Quarterly reviews of biophysics, 2004 - cambridge.org
1. Introduction 172. Dynamics of many-body systems 192.1 Effective dynamics of reduced
systems 212.2 The constraint of thermodynamic equilibrium 242.3 Mean-field theories 253 …

Molecular dynamics simulations of lipid bilayers

SE Feller - Current opinion in colloid & interface science, 2000 - Elsevier
Computer simulation methods are becoming increasingly widespread as tools for studying
the structure and dynamics of lipid bilayer membranes. The length scale and time scale …

[图书][B] Computational neuroscience: a comprehensive approach

J Feng - 2003 - taylorfrancis.com
How does the brain work? After a century of research, we still lack a coherent view of how
neurons process signals and control our activities. But as the field of computational …

Structure and function of the influenza A M2 proton channel

SD Cady, W Luo, F Hu, M Hong - Biochemistry, 2009 - ACS Publications
The M2 protein of influenza A viruses forms a tetrameric pH-activated proton-selective
channel that is targeted by the amantadine class of antiviral drugs. Its ion channel function …

Structure of the transmembrane region of the M2 protein H+ channel

J Wang, S Kim, F Kovacs, TA Cross - Protein Science, 2001 - Wiley Online Library
The transmembrane domain of the M2 protein from influenza A virus forms a nearly uniform
and ideal helix in a liquid crystalline bilayer environment. The exposure of the hydrophilic …

The Closed State of a H+ Channel Helical Bundle Combining Precise Orientational and Distance Restraints from Solid State NMR

K Nishimura, S Kim, L Zhang, TA Cross - Biochemistry, 2002 - ACS Publications
An interhelical distance has been precisely measured by REDOR solid-state NMR
spectroscopy in the transmembrane tetrameric bundle of M2-TMP, from the M2 proton …

[HTML][HTML] Structural determinants of MscL gating studied by molecular dynamics simulations

J Gullingsrud, D Kosztin, K Schulten - Biophysical journal, 2001 - cell.com
The mechanosensitive channel of large conductance (MscL) in prokaryotes plays a crucial
role in exocytosis as well as in the response to osmotic downshock. The channel can be …

pH-dependent tetramerization and amantadine binding of the transmembrane helix of M2 from the influenza A virus

D Salom, BR Hill, JD Lear, WF DeGrado - Biochemistry, 2000 - ACS Publications
The M2 proton channel from the influenza A virus is a small protein with a single
transmembrane helix that associates to form a tetramer in vivo. This protein forms proton …