Membrane protein structure quality in molecular dynamics simulation.

Membrane protein structure quality in molecular dynamics simulation.

Our goal was to assess the relationship between membrane protein quality, output from protein quality checkers and output from molecular dynamics (MD) simulations. Membrane transport proteins are essential for a wide range of cellular processes. Structural features of integral membrane proteins are...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς:	Law, R, Capener, C, Baaden, M, Bond, P, Campbell, J, Patargias, G, Arinaminpathy, Y, Sansom, MS
Μορφή:	Conference item
Έκδοση:	2005

Παρόμοια τεκμήρια

Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: conformational dynamics of a membrane protein as a function of environment.
ανά: Patargias, G, κ.ά.
Έκδοση: (2005)

Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations.
ανά: Faraldo-Gómez, J, κ.ά.
Έκδοση: (2004)

OmpT: molecular dynamics simulations of an outer membrane enzyme.
ανά: Baaden, M, κ.ά.
Έκδοση: (2004)

Molecular dynamics simulations and membrane protein structure quality.
ανά: Ivetac, A, κ.ά.
Έκδοση: (2008)

OmpT: Molecular dynamics simulations of an outer membrane enzyme.
ανά: Baaden, M, κ.ά.
Έκδοση: (2005)

Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers.
ανά: Cox, K, κ.ά.
Έκδοση: (2008)

Molecular dynamics simulations of outer membrane phospholipase A
ανά: Baaden, M, κ.ά.
Έκδοση: (2004)

Molecular dynamics simulations exploring the KcsA structure
ανά: Capener, C, κ.ά.
Έκδοση: (2002)

Interdomain dynamics and ligand binding: molecular dynamics simulations of glutamine binding protein.
ανά: Pang, A, κ.ά.
Έκδοση: (2003)

Membrane proteins: molecular dynamics simulations.
ανά: Lindahl, E, κ.ά.
Έκδοση: (2008)

Molecular dynamics simulations of a K channel model: Sensitivity to changes in ions, waters, and membrane environment
ανά: Capener, C, κ.ά.
Έκδοση: (2002)

Coarse-grained molecular dynamics simulations of membrane proteins and peptides.
ανά: Bond, P, κ.ά.
Έκδοση: (2007)

Ion channels: structural bioinformatics and modelling.
ανά: Capener, C, κ.ά.
Έκδοση: (2002)

Molecular Dynamics simulations of spontaneous micelle formation around membrane proteins.
ανά: Bond, P, κ.ά.
Έκδοση: (2005)

A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA.
ανά: Baaden, M, κ.ά.
Έκδοση: (2003)

Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states.
ανά: Durrieu, M, κ.ά.
Έκδοση: (2009)

Simulations of bacterial outer membrane proteins: Towards an e-outer membrane
ανά: Baaden, M, κ.ά.
Έκδοση: (2003)

Molecular dynamics simulations of the ligand-binding domain of the ionotropic glutamate receptor GluR2.
ανά: Arinaminpathy, Y, κ.ά.
Έκδοση: (2002)

Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel.
ανά: Carpenter, T, κ.ά.
Έκδοση: (2008)

The simulation approach to bacterial outer membrane proteins.
ανά: Bond, P, κ.ά.
Έκδοση: (2004)

Insertion and assembly of membrane proteins via simulation.
ανά: Bond, P, κ.ά.
Έκδοση: (2006)

Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer.
ανά: Bond, P, κ.ά.
Έκδοση: (2003)

Molecular simulation approaches to membrane proteins.
ανά: Stansfeld, P, κ.ά.
Έκδοση: (2011)

Membrane protein simulations: ion channels and bacterial outer membrane proteins.
ανά: Domene, C, κ.ά.
Έκδοση: (2003)

Homology modelling and molecular dynamics simulations of a prokaryotic glutamate receptor: GluR0
ανά: Arinaminpathy, Y, κ.ά.
Έκδοση: (2002)

One membrane protein, two structures and six environments: a comparative molecular dynamics simulation study of the bacterial outer membrane protein PagP.
ανά: Cox, K, κ.ά.
Έκδοση: (2009)

Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins.
ανά: Sansom, MS, κ.ά.
Έκδοση: (2005)

Molecular dynamics simulations of membrane proteins.
ανά: Biggin, P, κ.ά.
Έκδοση: (2008)

A prokaryotic glutamate receptor: homology modelling and molecular dynamics simulations of GluR0.
ανά: Arinaminpathy, Y, κ.ά.
Έκδοση: (2003)

BioSimGRID: Application to analysis of membrane protein simulations
ανά: Sansom, M, κ.ά.
Έκδοση: (2005)

Comparative molecular dynamics simulations: Glutamate receptors and periplasmic binding proteins
ανά: Sansom, M, κ.ά.
Έκδοση: (2004)

Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbA.
ανά: Campbell, J, κ.ά.
Έκδοση: (2003)

Structure and dynamics of K channel pore-lining helices: a comparative simulation study.
ανά: Shrivastava, I, κ.ά.
Έκδοση: (2000)

Simulation studies of the interactions between membrane proteins and detergents.
ανά: Bond, P, κ.ά.
Έκδοση: (2005)

Binding site flexibility: molecular simulation of partial and full agonists within a glutamate receptor.
ανά: Arinaminpathy, Y, κ.ά.
Έκδοση: (2006)

CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.
ανά: Chetwynd, A, κ.ά.
Έκδοση: (2008)

Conformational dynamics of OmpA: MD simulations of a bacterial outer membrane protein
ανά: Bond, P, κ.ά.
Έκδοση: (2004)

A brief history of visualizing membrane systems in molecular dynamics simulations
ανά: R. A. Corey, κ.ά.
Έκδοση: (2023-05-01)

OmpA: gating and dynamics via molecular dynamics simulations.
ανά: Khalid, S, κ.ά.
Έκδοση: (2008)

Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel.
ανά: Capener, C, κ.ά.
Έκδοση: (2000)