Molecular dynamics simulation for all

SA Hollingsworth, RO Dror - Neuron, 2018 - cell.com
The impact of molecular dynamics (MD) simulations in molecular biology and drug discovery
has expanded dramatically in recent years. These simulations capture the behavior of …

Structure of the human voltage-gated sodium channel Nav1.4 in complex with β1

X Pan, Z Li, Q Zhou, H Shen, K Wu, X Huang, J Chen… - Science, 2018 - science.org
INTRODUCTION The nine subtypes of mammalian voltage-gated sodium (Nav) channels,
Nav1. 1 to Nav1. 9, are responsible for the initiation and propagation of action potentials in …

Novel protein science enabled by total chemical synthesis

SBH Kent - Protein Science, 2019 - Wiley Online Library
Chemical synthesis is a well‐established method for the preparation in the research
laboratory of multiple‐tens‐of‐milligram amounts of correctly folded, high purity protein …

Ultrasensitive optical imaging with lanthanide lumiphores

U Cho, DP Riordan, P Ciepla, KS Kocherlakota… - Nature chemical …, 2018 - nature.com
In principle, the millisecond emission lifetimes of lanthanide chelates should enable their
ultrasensitive detection in biological systems by time-resolved optical microscopy. In …

BODIPY derivatives as fluorescent reporters of molecular activities in living cells

VI Martynov, AA Pakhomov - Russian Chemical Reviews, 2021 - iopscience.iop.org
Fluorescent compounds have become indispensable tools for imaging molecular activities
in the living cell. 4, 4-Difluoro-4-bora-3a, 4a-diaza-s-indacene (BODIPY) is currently one of …

Lanthanide-based optical probes of biological systems

U Cho, JK Chen - Cell chemical biology, 2020 - cell.com
The unique photophysical properties of lanthanides, such as europium, terbium, and
ytterbium, make them versatile molecular probes of biological systems. In particular, their …

Enzymatic Ligation of a Pore Blocker Toxin and a Gating Modifier Toxin: Creating Double-Knotted Peptides with Improved Sodium Channel NaV1.7 Inhibition

HNT Tran, P Tran, JR Deuis, AJ Agwa… - Bioconjugate …, 2019 - ACS Publications
Disulfide-rich animal venom peptides targeting either the voltage-sensing domain or the
pore domain of voltage-gated sodium channel 1.7 (NaV1. 7) have been widely studied as …

Conformations of voltage-sensing domain III differentially define NaV channel closed- and open-state inactivation

P Angsutararux, PW Kang, W Zhu… - Journal of General …, 2021 - rupress.org
Voltage-gated Na+ (NaV) channels underlie the initiation and propagation of action
potentials (APs). Rapid inactivation after NaV channel opening, known as open-state …

The contribution of voltage clamp fluorometry to the understanding of channel and transporter mechanisms

J Cowgill, B Chanda - Journal of General Physiology, 2019 - rupress.org
Key advances in single particle cryo-EM methods in the past decade have ushered in a
resolution revolution in modern biology. The structures of many ion channels and …

Predicting structural details of the sodium channel pore basing on animal toxin studies

DB Tikhonov, BS Zhorov - Frontiers in Pharmacology, 2018 - frontiersin.org
Eukaryotic voltage-gated sodium channels play key roles in physiology and are targets for
many toxins and medically important drugs. Physiology, pharmacology, and general …