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

Amphipathic antenna of an inward rectifier K+ channel responds to changes in the inner membrane leaflet

(2012) M. Iwamoto et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Thermodynamic coupling between activation and inactivation gating in potassium channels revealed by free energy molecular dynamics simulations

(2011) Albert C. Pan et al.   JOURNAL OF GENERAL PHYSIOLOGY

In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel

(2011) Kirsten Knape et al.   PLoS One

Novel roles for hERG K+ channels in cell proliferation and apoptosis

(2011) J Jehle et al.   Cell Death & Disease

An introduction to QT interval prolongation and non-clinical approaches to assessing and reducing risk

(2010) CE Pollard et al.   BRITISH JOURNAL OF PHARMACOLOGY

Genetic selection of activatory mutations in KcsA

(2010) Jennifer J. Paynter et al.   Channels

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation

(2010) Maarten G. Wolf et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

Crystal structure of full-length KcsA in its closed conformation

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

Symmetry-restrained molecular dynamics simulations improve homology models of potassium channels

(2009) Andriy Anishkin et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Cooperative nature of gating transitions in K+ channels as seen from dynamic importance sampling calculations

(2009) Elizabeth J. Denning et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Generation, Comparison, and Merging of Pathways between Protein Conformations: Gating in K-Channels

(2008) Angela Enosh et al.   BIOPHYSICAL JOURNAL

End-Point Targeted Molecular Dynamics: Large-Scale Conformational Changes in Potassium Channels

(2008) R.J. Mashl et al.   BIOPHYSICAL JOURNAL

Global Twisting Motion of Single Molecular KcsA Potassium Channel upon Gating

(2008) Hirofumi Shimizu et al.   CELL

Biomolecular simulations of membranes: Physical properties from different force fields

(2008) Shirley W. I. Siu et al.   JOURNAL OF CHEMICAL PHYSICS

Protein Folding Pathways Revealed by Essential Dynamics Sampling

(2008) Daniele Narzi et al.   Journal of Chemical Theory and Computation

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

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

Direct analysis of cooperativity in multisubunit allosteric proteins

(2008) N. Zandany et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Fluorescence detection of the movement of single KcsA subunits reveals cooperativity

(2008) R. Blunck et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cooperative Transition between Open and Closed Conformations in Potassium Channels

(2008) Turkan Haliloglu et al.   PLoS Computational Biology