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

Energetics of Multi-Ion Conduction Pathways in Potassium Ion Channels

(2013) Philip W. Fowler et al.   Journal of Chemical Theory and Computation

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

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

Ion Concentration-Dependent Ion Conduction Mechanism of a Voltage-Sensitive Potassium Channel

(2013) Kota Kasahara et al.   PLoS One

Filter gate closure inhibits ion but not water transport through potassium channels

(2013) T. Hoomann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Probing the Energy Landscape of Activation Gating of the Bacterial Potassium Channel KcsA

(2013) Tobias Linder et al.   PLoS Computational Biology

Refinement of macromolecular structures against neutron data withSHELXL2013

(2013) Tim Gruene et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Ion Conduction through the hERG Potassium Channel

(2012) Luisa Ceccarini et al.   PLoS One

REFMAC5 for the refinement of macromolecular crystal structures

(2011) Garib N. Murshudov et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

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

(2011) Carsten Kutzner et al.   BIOPHYSICAL JOURNAL

ShelXle: a Qt graphical user interface forSHELXL

(2011) Christian B. Hübschle et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

ANODE: anomalous and heavy-atom density calculation

(2011) Andrea Thorn et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Counting Ion and Water Molecules in a Streaming File through the Open-Filter Structure of the K Channel

(2011) M. Iwamoto et al.   JOURNAL OF NEUROSCIENCE

Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels

(2010) Oliver B. Clarke et al.   CELL

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural mechanism of C-type inactivation in K+ channels

(2010) Luis G. Cuello et al.   NATURE

Structural basis for the coupling between activation and inactivation gates in K+ channels

(2010) Luis G. Cuello et al.   NATURE

Novel insights into K+ selectivity from high-resolution structures of an open K+ channel pore

(2010) Sheng Ye et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

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

Structural basis underlying the dual gate properties of KcsA

(2010) S. Imai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atypical mechanism of conduction in potassium channels

(2009) S. Furini et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

mtz2scaandmtz2hkl: facilitated transition fromCCP4to theSHELXprogram suite

(2008) Tim Grune   JOURNAL OF APPLIED CRYSTALLOGRAPHY

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

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

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

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