Water in ion channels and pores--simulation studies.

Water in ion channels and pores--simulation studies.

The microscopic properties of water in narrow pores are relevant to the function of ion channels and related membrane transport proteins. The emergence of several high-resolution structures allows one to perform molecular dynamics simulation studies of water in such pores. Simulations of bundles of...

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Príomhchruthaitheoirí:	Sansom, MS, Bond, P, Beckstein, O, Biggin, P, Faraldo-Gómez, J, Law, R, Patargias, G, Tieleman, D
Formáid:	Journal article
Teanga:	English
Foilsithe / Cruthaithe:	2002

Míreanna comhchosúla

Water in transmembrane pores: Simulation studies.
de réir: Sansom, M, et al.
Foilsithe / Cruthaithe: (2001)

Simulation approaches to ion channel structure-function relationships.
de réir: Tieleman, D, et al.
Foilsithe / Cruthaithe: (2001)

OmpA: a pore or not a pore? Simulation and modeling studies.
de réir: Bond, P, et al.
Foilsithe / Cruthaithe: (2002)

Ion channel gating: insights via molecular simulations.
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2003)

K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study.
de réir: Shrivastava, I, et al.
Foilsithe / Cruthaithe: (2002)

The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological pores.
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2004)

Simulation approaches to ion channel gating
de réir: Biggin, P, et al.
Foilsithe / Cruthaithe: (2002)

Pores formed by the nicotinic receptor m2delta Peptide: a molecular dynamics simulation study.
de réir: Law, R, et al.
Foilsithe / Cruthaithe: (2003)

Not ions alone: barriers to ion permeation in nanopores and channels.
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2004)

A hydrophobic gate in an ion channel: the closed state of the nicotinic acetylcholine receptor.
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2006)

Structure and dynamics of the pore-lining helix of the nicotinic receptor: MD simulations in water, lipid bilayers, and transbilayer bundles.
de réir: Law, R, et al.
Foilsithe / Cruthaithe: (2000)

Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: conformational dynamics of a membrane protein as a function of environment.
de réir: Patargias, G, et al.
Foilsithe / Cruthaithe: (2005)

Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations.
de réir: Faraldo-Gómez, J, et al.
Foilsithe / Cruthaithe: (2004)

Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations.
de réir: Biggin, P, et al.
Foilsithe / Cruthaithe: (2001)

Simulation studies of the interaction of antimicrobial peptides and lipid bilayers.
de réir: La Rocca, P, et al.
Foilsithe / Cruthaithe: (1999)

Membrane protein simulations: ion channels and bacterial outer membrane proteins.
de réir: Domene, C, et al.
Foilsithe / Cruthaithe: (2003)

Simulations of ion channels--watching ions and water move.
de réir: Sansom, MS, et al.
Foilsithe / Cruthaithe: (2000)

Analysis and evaluation of channel models: simulations of alamethicin.
de réir: Tieleman, D, et al.
Foilsithe / Cruthaithe: (2002)

The importance of surface character, geometry and flexibility in a hydrophobic gating mechanism for ion channels
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2004)

Continuum vs. particle simulations of model nano-pores
de réir: Millar, C, et al.
Foilsithe / Cruthaithe: (2007)

Electrostatics studies and molecular dynamics simulations of a homology model of the Shaker K+ channel pore.
de réir: Ranatunga, K, et al.
Foilsithe / Cruthaithe: (2001)

The dielectric properties of water within model transbilayer pores
de réir: Sansom, M, et al.
Foilsithe / Cruthaithe: (1997)

Membrane protein dynamics and detergent interactions within a crystal: a simulation study of OmpA.
de réir: Bond, P, et al.
Foilsithe / Cruthaithe: (2006)

Proline-induced hinges in transmembrane helices: possible roles in ion channel gating.
de réir: Tieleman, D, et al.
Foilsithe / Cruthaithe: (2001)

A hydrophobic gating mechanism for nanopores
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2001)

Membrane protein structure quality in molecular dynamics simulation.
de réir: Law, R, et al.
Foilsithe / Cruthaithe: (2005)

Mechanosensitive channels: stress relief.
de réir: Biggin, P, et al.
Foilsithe / Cruthaithe: (2003)

Channel gating: twist to open.
de réir: Biggin, P, et al.
Foilsithe / Cruthaithe: (2001)

Understanding pH-dependent selectivity of alamethicin K18 channels by computer simulation.
de réir: Tieleman, D, et al.
Foilsithe / Cruthaithe: (2003)

The alpha7 nicotinic acetylcholine receptor: molecular modelling, electrostatics, and energetics.
de réir: Amiri, S, et al.
Foilsithe / Cruthaithe: (2005)

Molecular dynamics simulations of antimicrobial peptides: From membrane binding to trans-membrane channels
de réir: Tieleman, D, et al.
Foilsithe / Cruthaithe: (2001)

Open-state models of a potassium channel.
de réir: Biggin, P, et al.
Foilsithe / Cruthaithe: (2002)

Membrane proteins: Aquaporins--channels without ions.
de réir: Sansom, MS, et al.
Foilsithe / Cruthaithe: (2001)

Liquid-vapor oscillations of water in hydrophobic nanopores.
de réir: Beckstein, O, et al.
Foilsithe / Cruthaithe: (2003)

Biomimetic design of a brush-like nanopore: simulation studies.
de réir: Pongprayoon, P, et al.
Foilsithe / Cruthaithe: (2012)

Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.
de réir: Bond, P, et al.
Foilsithe / Cruthaithe: (2007)

Potassium channels: structures, models, simulations.
de réir: Sansom, MS, et al.
Foilsithe / Cruthaithe: (2002)

CHAP: A versatile tool for the structural and functional annotation of ion channel pores
de réir: Klesse, G, et al.
Foilsithe / Cruthaithe: (2019)

Water at the nanoscale.
de réir: Sansom, MS, et al.
Foilsithe / Cruthaithe: (2001)

Functional annotation of ion channel pores by molecular simulations
de réir: Rao, S
Foilsithe / Cruthaithe: (2020)