Conformational Changes and Slow Dynamics through Microsecond Polarized Atomistic Molecular Simulation of an Integral Kv1.2 Ion Channel

Molecular Dynamics Simulation of Kv Channel Voltage Sensor Helix in a Lipid Membrane with Applied Electric Field

(2008) Manami Nishizawa et al.   BIOPHYSICAL JOURNAL

Kinetics, Statistics, and Energetics of Lipid Membrane Electroporation Studied by Molecular Dynamics Simulations

(2008) Rainer A. Böckmann et al.   BIOPHYSICAL JOURNAL

The Membrane Potential and its Representation by a Constant Electric Field in Computer Simulations

(2008) Benoît Roux   BIOPHYSICAL JOURNAL

Polyunsaturated fatty acids and cerebrospinal fluid from children on the ketogenic diet open a voltage-gated K channel: A putative mechanism of antiseizure action

(2008) Xiang-ping Xu et al.   EPILEPSY RESEARCH

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

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

Atomic Constraints between the Voltage Sensor and the Pore Domain in a Voltage-gated K+Channel of Known Structure

(2008) Anthony Lewis et al.   JOURNAL OF GENERAL PHYSIOLOGY

Gating Motions in Voltage-Gated Potassium Channels Revealed by Coarse-Grained Molecular Dynamics Simulations

(2008) Werner Treptow et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular mechanism of pH sensing in KcsA potassium channels

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

S4-based voltage sensors have three major conformations

(2008) C. A. Villalba-Galea et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation