ArticleFrontiers in pharmacology2012
Molecular dynamics simulations of voltage-gated cation channels: insights on voltage-sensor domain function and modulation.
Article in Frontiers in pharmacology, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 31 citations in OpenAlex.
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- Investigating the Role of Water Molecules in TRPV4 Ion Channels Under Intense Electric Fields Using Molecular Dynamics Simulations.Bioelectricity · 2026Article
- TUPÃ: Electric field analyses for molecular simulations.Journal of computational chemistry · 2022Article
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- Queueing arrival and release mechanism for KThe journal of physiological sciences : JPS · 2019Article
- Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance.Chemical reviews · 2019Article
- The Role of Proton Transport in Gating Current in a Voltage Gated Ion Channel, as Shown by Quantum Calculations.Sensors (Basel, Switzerland) · 2018Article
- A New Cardiac Channelopathy: From Clinical Phenotypes to Molecular Mechanisms Associated With NaFrontiers in cardiovascular medicine · 2018Review
- Origin of the Shape of Current-Voltage Curve through Nanopores: A Molecular Dynamics Study.Scientific reports · 2016Article
- Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.The Journal of membrane biology · 2015Review
- A combined coarse-grained and all-atom simulation of TRPV1 channel gating and heat activation.The Journal of general physiology · 2015Article
- Free-energy landscape of ion-channel voltage-sensor-domain activation.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations.The Journal of general physiology · 2012Article
- Mechanisms of Ion Channels Voltage-Dependency: All about Molecular Sensors, Gates, Levers, Locks, and Grease.Frontiers in pharmacology · 2012Article
- Being flexible: the voltage-controllable activation gate of kv channels.Frontiers in pharmacology · 2012Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Since their discovery in the 1950s, the structure and function of voltage-gated cation channels (VGCC) has been largely understood thanks to results stemming from electrophysiology, pharmacology, spectroscopy, and structural biology. Over the past decade, computational methods such as molecular dynamics (MD) simulations have also contributed, providing molecular level information that can be tested against experimental results, thereby allowing the validation of the models and protocols. Importantly, MD can shed light on elements of VGCC function that cannot be easily accessed through "classical" experiments. Here, we review the results of recent MD simulations addressing key questions that pertain to the function and modulation of the VGCC's voltage-sensor domain (VSD) highlighting: (1) the movement of the S4-helix basic residues during channel activation, articulating how the electrical driving force acts upon them; (2) the nature of the VSD intermediate states on transitioning between open and closed states of the VGCC; and (3) the molecular level effects on the VSD arising from mutations of specific S4 positively charged residues involved in certain genetic diseases.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.