Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins
A polymer chain of N atoms enjoys 3N-6 internal degrees of freedom, which gives rise to
infinitely many conformations. Even a simple model of N) 100 atoms where bond lengths …
infinitely many conformations. Even a simple model of N) 100 atoms where bond lengths …
Voltage-gated potassium channels: a structural examination of selectivity and gating
DM Kim, CM Nimigean - Cold Spring Harbor …, 2016 - cshperspectives.cshlp.org
Voltage-gated potassium channels play a fundamental role in the generation and
propagation of the action potential. The discovery of these channels began with predictions …
propagation of the action potential. The discovery of these channels began with predictions …
The crystal structure of a voltage-gated sodium channel
J Payandeh, T Scheuer, N Zheng, WA Catterall - Nature, 2011 - nature.com
Voltage-gated sodium (NaV) channels initiate electrical signalling in excitable cells and are
the molecular targets for drugs and disease mutations, but the structural basis for their …
the molecular targets for drugs and disease mutations, but the structural basis for their …
Structural basis for Ca2+ selectivity of a voltage-gated calcium channel
Nuclear factor kappa B (NFkB) transcription factors are responsible for the regulation of
more than 150 target genes, their expression is induced by many classes of stimuli, and …
more than 150 target genes, their expression is induced by many classes of stimuli, and …
Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels
The seeming contradiction that K+ channels conduct K+ ions at maximal throughput rates
while not permeating slightly smaller Na+ ions has perplexed scientists for decades …
while not permeating slightly smaller Na+ ions has perplexed scientists for decades …
[HTML][HTML] The persistent question of potassium channel permeation mechanisms
Potassium channels play critical roles in many physiological processes, providing a
selective permeation route for K+ ions in and out of a cell, by employing a carefully designed …
selective permeation route for K+ ions in and out of a cell, by employing a carefully designed …
A practical guide to reliable first principles computational thermochemistry predictions across the periodic table
Abstract The Feller–Peterson–Dixon approach to the reliable prediction of thermochemical
properties to chemical accuracy is described. The method calculates the total atomization …
properties to chemical accuracy is described. The method calculates the total atomization …
Mechanism of potassium-channel selectivity revealed by Na+ and Li+ binding sites within the KcsA pore
AN Thompson, I Kim, TD Panosian… - Nature structural & …, 2009 - nature.com
Potassium channels allow K+ ions to diffuse through their pores while preventing smaller
Na+ ions from permeating. Discrimination between these similar, abundant ions enables …
Na+ ions from permeating. Discrimination between these similar, abundant ions enables …
Solving a new R2lox protein structure by microcrystal electron diffraction
Microcrystal electron diffraction (MicroED) has recently shown potential for structural biology.
It enables the study of biomolecules from micrometer-sized 3D crystals that are too small to …
It enables the study of biomolecules from micrometer-sized 3D crystals that are too small to …
A single NaK channel conformation is not enough for non-selective ion conduction
NaK and other non-selective channels are able to conduct both sodium (Na+) and
potassium (K+) with equally high efficiency. In contrast to previous crystallographic results …
potassium (K+) with equally high efficiency. In contrast to previous crystallographic results …