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LINCS: A linear constraint solver for molecular simulations
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September 1997 |
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GROMACS: Fast, flexible, and free
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January 2005 |
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CHARMM-GUI: A web-based graphical user interface for CHARMM
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March 2008 |
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CHARMM-GUI Membrane Builder toward realistic biological membrane simulations
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August 2014 |
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HOLE: A program for the analysis of the pore dimensions of ion channel structural models
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December 1996 |
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CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
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July 2009 |
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The Occupancy of Ions in the K+ Selectivity Filter: Charge Balance and Coupling of Ion Binding to a Protein Conformational Change Underlie High Conduction Rates
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November 2003 |
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GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
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Two Different Conformational States of the KirBac3.1 Potassium Channel Revealed by Electron Crystallography
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October 2005 |
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The gates of ion channels and enzymes
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March 2010 |
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CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
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December 2015 |
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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
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February 2008 |
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Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models
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January 2010 |
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Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
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June 2010 |
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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins †
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April 1998 |
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Chemistry of ion coordination and hydration revealed by a K+ channel–Fab complex at 2.0 Å resolution
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November 2001 |
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See potassium run
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November 2001 |
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Crystal structure and mechanism of a calcium-gated potassium channel
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May 2002 |
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The open pore conformation of potassium channels
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May 2002 |
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Atomic structure of a Na+- and K+-conducting channel
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February 2006 |
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Sodium and potassium competition in potassium-selective and non-selective channels
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November 2013 |
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CHARMM36m: an improved force field for folded and intrinsically disordered proteins
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November 2016 |
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High-resolution structure of the open NaK channel
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December 2008 |
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Structural analysis of ion selectivity in the NaK channel
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December 2008 |
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Anomalous X-ray diffraction studies of ion transport in K+ channels
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October 2018 |
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Molecular mechanism of a potassium channel gating through activation gate-selectivity filter coupling
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November 2019 |
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Direct knock-on of desolvated ions governs strict ion selectivity in K+ channels
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July 2018 |
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Ion channels and ion selectivity
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May 2017 |
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Polymorphic transitions in single crystals: A new molecular dynamics method
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December 1981 |
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A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
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Finite representation of an infinite bulk system: Solvent boundary potential for computer simulations
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June 1994 |
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Structure of the transmembrane regions of a bacterial cyclic nucleotide-regulated channel
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January 2008 |
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Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites
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December 2010 |
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Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation
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September 2011 |
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Thermodynamic coupling between activation and inactivation gating in potassium channels revealed by free energy molecular dynamics simulations
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November 2011 |
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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
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February 2013 |
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Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
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OMITMAP: An electron density map suitable for the examination of errors in a macromolecular model
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August 1984 |
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Coot model-building tools for molecular graphics
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November 2004 |
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MolProbity : all-atom structure validation for macromolecular crystallography
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December 2009 |
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XDS
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January 2010 |
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PHENIX: a comprehensive Python-based system for macromolecular structure solution
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January 2010 |
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In-vacuum long-wavelength macromolecular crystallography
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March 2016 |
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Polder maps: improving OMIT maps by excluding bulk solvent
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February 2017 |
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The conduction pathway of potassium channels is water free under physiological conditions
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July 2019 |
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Crystal Structure of the Potassium Channel KirBac1.1 in the Closed State
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June 2003 |
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Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions
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June 2013 |
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Ion permeation in K+ channels occurs by direct Coulomb knock-on
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October 2014 |
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A functional connection between the pores of distantly related ion channels as revealed by mutant K+ channels
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November 1992 |
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The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity
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April 1998 |