Calcium binding and permeation in TRPV channels: Insights from molecular dynamics simulations

Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel

(2023) Florian Karl Schackert et al.   Journal of Chemical Information and Modeling

A cooperative knock-on mechanism underpins Ca2+-selective cation permeation in TRPV channels

(2023) Callum M. Ives et al.   JOURNAL OF GENERAL PHYSIOLOGY

The Persistent Question of Potassium Channel Permeation Mechanisms

(2021) Andrei Mironenko et al.   JOURNAL OF MOLECULAR BIOLOGY

Atomistic Details of Charge/Space Competition in the Ca2+ Selectivity of Ryanodine Receptors

(2021) Chunhong Liu et al.   Journal of Physical Chemistry Letters

The Ca2+ permeation mechanism of the ryanodine receptor revealed by a multi-site ion model

(2020) Aihua Zhang et al.   Nature Communications

Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels

(2018) Wojciech Kopec et al.   Nature Chemistry

Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6

(2018) Serzhan Sakipov et al.   Scientific Reports

Selective ion permeation involves complexation with carboxylates and lysine in a model human sodium channel

(2018) Emelie Flood et al.   PLoS Computational Biology

Emerging Roles of the Membrane Potential: Action Beyond the Action Potential

(2018) Lina Abdul Kadir et al.   Frontiers in Physiology

Opening of the human epithelial calcium channel TRPV6

(2017) Luke L. McGoldrick et al.   NATURE

TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action

(2016) Yuan Gao et al.   NATURE

Crystal structure of the epithelial calcium channel TRPV6

(2016) Kei Saotome et al.   NATURE

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ion permeation in K+ channels occurs by direct Coulomb knock-on

(2014) D. A. Kopfer et al.   SCIENCE

The Mechanism of Na+/K+ Selectivity in Mammalian Voltage-Gated Sodium Channels Based on Molecular Dynamics Simulation

(2013) Mengdie Xia et al.   BIOPHYSICAL JOURNAL

Atomic-level simulation of current–voltage relationships in single-file ion channels

(2013) Morten Ø. Jensen et al.   JOURNAL OF GENERAL PHYSIOLOGY

TRPV1 structures in distinct conformations reveal activation mechanisms

(2013) Erhu Cao et al.   NATURE

Structural basis for Ca2+ selectivity of a voltage-gated calcium channel

(2013) Lin Tang et al.   NATURE

Mitochondrial Matrix Calcium Is an Activating Signal for Hormone Secretion

(2011) Andreas Wiederkehr et al.   Cell Metabolism

Mechanism of Ion Permeation and Selectivity in a Voltage Gated Sodium Channel

(2011) Ben Corry et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calcium-dependent decrease in the single-channel conductance of TRPV1

(2011) Damien S. K. Samways et al.   PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY

Principles of conduction and hydrophobic gating in K+ channels

(2010) M. O. Jensen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The Anomalous Mole Fraction Effect in Calcium Channels: A Measure of Preferential Selectivity

(2008) Dirk Gillespie et al.   BIOPHYSICAL JOURNAL

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY