Modeling and simulation of ion channels

C Maffeo, S Bhattacharya, J Yoo, D Wells… - Chemical …, 2012 - ACS Publications
Transport of ions through pores in membranes is a process of fundamental importance to
cell biology. In living organisms, such transport is facilitated by ion channels that utilize the …

K+ Channel Modulators for the Treatment of Neurological Disorders and Autoimmune Diseases

H Wulff, BS Zhorov - Chemical reviews, 2008 - ACS Publications
Potassium channels are tetrameric membrane proteins that selectively conduct K+ across
cellular membranes. With 78 family members, K+ channels make up about half of the …

The membrane potential and its representation by a constant electric field in computer simulations

B Roux - Biophysical journal, 2008 - cell.com
A theoretical framework is elaborated to account for the effect of a transmembrane potential
in computer simulations. It is shown that a simulation with a constant external electric field …

Quantifying the diffusion of membrane proteins and peptides in black lipid membranes with 2-focus fluorescence correlation spectroscopy

K Weiß, A Neef, Q Van, S Kramer, I Gregor… - Biophysical journal, 2013 - cell.com
Protein diffusion in lipid membranes is a key aspect of many cellular signaling processes. To
quantitatively describe protein diffusion in membranes, several competing theoretical …

Screening blockers against a potassium channel with a droplet interface bilayer array

R Syeda, MA Holden, WL Hwang… - Journal of the American …, 2008 - ACS Publications
Droplet interface bilayers (DIBs) form between two lipid monolayer-encased aqueous
droplets submerged in oil. Both major structural classes of membrane proteins, α-helix …

Structural determinants of ivabradine block of the open pore of HCN4

A Saponaro, JH Krumbach, A Chaves-Sanjuan… - Proceedings of the …, 2024 - pnas.org
HCN1-4 channels are the molecular determinants of the If/Ih current that crucially regulates
cardiac and neuronal cell excitability. HCN dysfunctions lead to sinoatrial block (HCN4) …

Calcium-gated potassium channel blockade via membrane-facing fenestrations

C Fan, E Flood, N Sukomon, S Agarwal… - Nature chemical …, 2024 - nature.com
Quaternary ammonium blockers were previously shown to bind in the pore to block both
open and closed conformations of large-conductance calcium-activated potassium (BK and …

Diversity of potassium channel ligands: focus on scorpion toxins

AI Kuzmenkov, EV Grishin, AA Vassilevski - Biochemistry (Moscow), 2015 - Springer
Potassium (K+) channels are a widespread superfamily of integral membrane proteins that
mediate selective transport of K+ ions through the cell membrane. They have been found in …

[HTML][HTML] Global twisting motion of single molecular KcsA potassium channel upon gating

H Shimizu, M Iwamoto, T Konno, A Nihei, YC Sasaki… - Cell, 2008 - cell.com
Ion channels are signal transduction molecules that switch ion permeation pathways on and
off (gating). Crystal structures of several kinds of potassium channels have revealed open …

Structural model for dihydropyridine binding to L-type calcium channels

DB Tikhonov, BS Zhorov - Journal of Biological Chemistry, 2009 - jbc.org
1, 4-Dihydropyridines (DHPs) constitute a major class of ligands for L-type Ca 2+ channels
(LTCC). The DHPs have a boat-like, six-membered ring with an NH group at the stern, an …