Molecular Dynamics Study of Binding of µ-Conotoxin GIIIA to the Voltage-Gated Sodium Channel Nav1.4

Free Energy Simulations of Binding of HsTx1 Toxin to Kv1 Potassium Channels: the Basis of Kv1.3/Kv1.1 Selectivity

(2014) M. Harunur Rashid et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanism of μ-Conotoxin PIIIA Binding to the Voltage-Gated Na+ Channel NaV1.4

(2014) Rong Chen et al.   PLoS One

A potent and Kv1.3-selective analogue of the scorpion toxin HsTX1 as a potential therapeutic for autoimmune diseases

(2014) M. Harunur Rashid et al.   Scientific Reports

Why the Drosophila Shaker K+ Channel Is Not a Good Model for Ligand Binding to Voltage-Gated Kv1 Channels

(2013) Somayeh Mahdavi et al.   BIOCHEMISTRY

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

(2013) Mengdie Xia et al.   BIOPHYSICAL JOURNAL

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

A Potent and Selective Peptide Blocker of the Kv1.3 Channel: Prediction from Free-Energy Simulations and Experimental Confirmation

(2013) M. Harunur Rashid et al.   PLoS One

Molecular dynamics of ion transport through the open conformation of a bacterial voltage-gated sodium channel

(2013) M. B. Ulmschneider et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Catalysis of Na+ permeation in the bacterial sodium channel NaVAb

(2013) N. Chakrabarti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Exploring Volatile General Anesthetic Binding to a Closed Membrane-Bound Bacterial Voltage-Gated Sodium Channel via Computation

(2013) S. G. Raju et al.   PLoS Computational Biology

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

Binding Modes of μ-Conotoxin to the Bacterial Sodium Channel (NaVAb)

(2012) Rong Chen et al.   BIOPHYSICAL JOURNAL

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

(2012) Xu Zhang et al.   CELL RESEARCH

A C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3

(2012) Michael W. Pennington et al.   FEBS LETTERS

Affinity and Selectivity of ShK Toxin for the Kv1 Potassium Channels from Free Energy Simulations

(2012) M. Harunur Rashid et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Developing a Comparative Docking Protocol for the Prediction of Peptide Selectivity Profiles: Investigation of Potassium Channel Toxins

(2012) Po-Chia Chen et al.   Toxins

Accurate Determination of the Binding Free Energy for KcsA-Charybdotoxin Complex from the Potential of Mean Force Calculations with Restraints

(2011) Po-Chia Chen 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 basis for gating charge movement in the voltage sensor of a sodium channel

(2011) V. Yarov-Yarovoy et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

 -Conotoxins that differentially block sodium channels NaV1.1 through 1.8 identify those responsible for action potentials in sciatic nerve

(2011) M. J. Wilson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Use of Venom Peptides to Probe Ion Channel Structure and Function

(2010) Sébastien Dutertre et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The Tetrodotoxin Binding Site Is within the Outer Vestibule of the Sodium Channel

(2010) Harry A. Fozzard et al.   Marine Drugs

µ-Conotoxins as Leads in the Development of New Analgesics

(2010) Raymond S. Norton   MOLECULES

Importance of the Peptide Backbone Description in Modeling the Selectivity Filter in Potassium Channels

(2009) Turgut Baştuğ et al.   BIOPHYSICAL JOURNAL

Mechanism and Energetics of Charybdotoxin Unbinding from a Potassium Channel from Molecular Dynamics Simulations

(2009) Po-chia Chen et al.   BIOPHYSICAL JOURNAL