Atomistic simulations of membrane ion channel conduction, gating, and modulation
Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …
New insights into the molecular mechanisms of general anaesthetics
PL Chau - British journal of pharmacology, 2010 - Wiley Online Library
This paper provides new insights of how general anaesthetic research should be carried out
in the future by an analysis of what we know, what we do not know and what we would like …
in the future by an analysis of what we know, what we do not know and what we would like …
Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain
An extensive search for isoflurane binding sites in the nicotinic acetylcholine receptor
(nAChR) and the proton gated ion channel from Gloebacter violaceus (GLIC) has been …
(nAChR) and the proton gated ion channel from Gloebacter violaceus (GLIC) has been …
Exploring volatile general anesthetic binding to a closed membrane-bound bacterial voltage-gated sodium channel via computation
Despite the clinical ubiquity of anesthesia, the molecular basis of anesthetic action is poorly
understood. Amongst the many molecular targets proposed to contribute to anesthetic …
understood. Amongst the many molecular targets proposed to contribute to anesthetic …
Modulation of a voltage-gated Na+ channel by sevoflurane involves multiple sites and distinct mechanisms
Halogenated inhaled general anesthetic agents modulate voltage-gated ion channels, but
the underlying molecular mechanisms are not understood. Many general anesthetic agents …
the underlying molecular mechanisms are not understood. Many general anesthetic agents …
Electrostatic screening and charge correlation effects in micellization of ionic surfactants
A Jusufi, AP Hynninen, M Haataja… - The Journal of …, 2009 - ACS Publications
We have used atomistic simulations to study the role of electrostatic screening and charge
correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically …
correlation effects in self-assembly processes of ionic surfactants into micelles. Specifically …
KirBac1. 1: it's an inward rectifying potassium channel
WWL Cheng, D Enkvetchakul, CG Nichols - Biophysical Journal, 2009 - cell.com
The structures of KirBac1. 1 and KirBac3. 1 have been used extensively to generate in silico
homology models of eukaryotic Kir channels and to explore ion permeation, gating and drug …
homology models of eukaryotic Kir channels and to explore ion permeation, gating and drug …
The role of atomic polarization in the thermodynamics of chloroform partitioning to lipid bilayers
In spite of extensive research and use in medical practice, the precise molecular mechanism
of volatile anesthetic action remains unknown. The distribution of anesthetics within lipid …
of volatile anesthetic action remains unknown. The distribution of anesthetics within lipid …
Capturing the molecular mechanism of anesthetic action by simulation methods
Significant computational efforts have been focused toward exposing the molecular
mechanisms of anesthesia in recent years. In the past decade, this has been aided …
mechanisms of anesthesia in recent years. In the past decade, this has been aided …
A gate hinge controls the epithelial calcium channel TRPV5
J van der Wijst, EH Leunissen, MG Blanchard… - Scientific reports, 2017 - nature.com
TRPV5 is unique within the large TRP channel family for displaying a high Ca2+ selectivity
together with Ca2+-dependent inactivation. Our study aims to uncover novel insights into …
together with Ca2+-dependent inactivation. Our study aims to uncover novel insights into …