Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations

Ion conduction and conformational flexibility of a bacterial voltage-gated sodium channel

(2014) Céline Boiteux et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

K+ and Na+ Conduction in Selective and Nonselective Ion Channels Via Molecular Dynamics Simulations

(2013) Simone Furini et al.   BIOPHYSICAL JOURNAL

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

Structure of a Prokaryotic Sodium Channel Pore Reveals Essential Gating Elements and an Outer Ion Binding Site Common to Eukaryotic Channels

(2013) David Shaya et al.   JOURNAL OF MOLECULAR BIOLOGY

Conduction in a Biological Sodium Selective Channel

(2013) Letícia Stock et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

(2013) Lin Tang et al.   NATURE

Role of the C-terminal domain in the structure and function of tetrameric sodium channels

(2013) Claire Bagnéris et al.   Nature Communications

Na+/Ca2+selectivity in the bacterial voltage-gated sodium channel NavAb

(2013) Ben Corry   PeerJ

Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel NaVAb

(2012) Song Ke et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Ion solvation and structural stability in a sodium channel investigated by molecular dynamics calculations

(2012) Hu Qiu et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Analysis of the selectivity filter of the voltage-gated sodium channel NavRh

(2012) Xu Zhang et al.   CELL RESEARCH

Membrane Protein Simulations Using AMBER Force Field and Berger Lipid Parameters

(2012) Arnau Cordomí et al.   Journal of Chemical Theory and Computation

Exploring conformational states of the bacterial voltage-gated sodium channel NavAb via molecular dynamics simulations

(2012) C. Amaral et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure of a bacterial voltage-gated sodium channel pore reveals mechanisms of opening and closing

(2012) Emily C. McCusker et al.   Nature Communications

On Conduction in a Bacterial Sodium Channel

(2012) Simone Furini et al.   PLoS Computational Biology

Computational Electrophysiology: The Molecular Dynamics of Ion Channel Permeation and Selectivity in Atomistic Detail

(2011) Carsten Kutzner et al.   BIOPHYSICAL JOURNAL

Sodium Ion Binding Sites and Hydration in the Lumen of a Bacterial Ion Channel from Molecular Dynamics Simulations

(2011) Vincenzo Carnevale et al.   Journal of Physical Chemistry Letters

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

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

The crystal structure of a voltage-gated sodium channel

(2011) Jian Payandeh et al.   NATURE

Structural mechanism of C-type inactivation in K+ channels

(2010) Luis G. Cuello et al.   NATURE

Ion Channel Voltage Sensors: Structure, Function, and Pathophysiology

(2010) William A. Catterall   NEURON

Simulation of Osmotic Pressure in Concentrated Aqueous Salt Solutions

(2009) Yun Luo et al.   Journal of Physical Chemistry Letters

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

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

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B