Coarse-grained MD simulations of membrane protein-bilayer self-assembly.

Coarse-grained MD simulations of membrane protein-bilayer self-assembly.

Complete determination of a membrane protein structure requires knowledge of the protein position within the lipid bilayer. As the number of determined structures of membrane proteins increases so does the need for computational methods which predict their position in the lipid bilayer. Here we pres...

Descripció completa

Dades bibliogràfiques
Autors principals:	Scott, K, Bond, P, Ivetac, A, Chetwynd, A, Khalid, S, Sansom, MS
Format:	Journal article
Idioma:	English
Publicat:	2008

Ítems similars

Coarse-grained molecular dynamics simulations of membrane proteins and peptides.
per: Bond, P, et al.
Publicat: (2007)

Exploring peptide-membrane interactions with coarse-grained MD simulations.
per: Hall, B, et al.
Publicat: (2011)

Interaction of monotopic membrane enzymes with a lipid bilayer: a coarse-grained MD simulation study.
per: Balali-Mood, K, et al.
Publicat: (2009)

Self-assembly of a simple membrane protein: coarse-grained molecular dynamics simulations of the influenza M2 channel.
per: Carpenter, T, et al.
Publicat: (2008)

Bilayer deformation around voltage-dependent potassium channels revealed by self-assembly coarse-grained simulations
per: Bond, P, et al.
Publicat: (2007)

CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.
per: Chetwynd, A, et al.
Publicat: (2008)

Coarse-grained simulation: a high-throughput computational approach to membrane proteins.
per: Sansom, MS, et al.
Publicat: (2008)

Coarse-grained molecular dynamics simulations of the energetics of helix insertion into a lipid bilayer.
per: Bond, P, et al.
Publicat: (2008)

Coarse-Grained MD Simulations and Protein-Protein Interactions: The Cohesin-Dockerin System
per: Hall, B, et al.
Publicat: (2009)

Helix-helix interactions in membrane proteins: coarse-grained simulations of glycophorin a helix dimerization.
per: Psachoulia, E, et al.
Publicat: (2008)

Peptide nanopores and lipid bilayers: interactions by coarse-grained molecular-dynamics simulations.
per: Klingelhoefer, J, et al.
Publicat: (2009)

Outer membrane proteins: comparing X-ray and NMR structures by MD simulations in lipid bilayers.
per: Cox, K, et al.
Publicat: (2008)

Coarse-grained simulations of the membrane-active antimicrobial Peptide maculatin 1.1.
per: Bond, P, et al.
Publicat: (2008)

DNA and lipid bilayers: self-assembly and insertion.
per: Khalid, S, et al.
Publicat: (2008)

Coarse-grain simulations reveal movement of the synaptobrevin C-terminus in response to piconewton forces.
per: Lindau, M, et al.
Publicat: (2012)

Molecular dynamics simulations and membrane protein structure quality.
per: Ivetac, A, et al.
Publicat: (2008)

The interaction of phospholipase A2 with a phospholipid bilayer: coarse-grained molecular dynamics simulations.
per: Wee, C, et al.
Publicat: (2008)

From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations
per: Stansfeld, P, et al.
Publicat: (2011)

Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.
per: Bond, P, et al.
Publicat: (2007)

Insertion and assembly of membrane proteins via simulation.
per: Bond, P, et al.
Publicat: (2006)

Coarse-grain simulations of the R-SNARE fusion protein in its membrane environment detect long-lived conformational sub-states.
per: Durrieu, M, et al.
Publicat: (2009)

MD simulations of spontaneous membrane protein/detergent micelle formation.
per: Bond, P, et al.
Publicat: (2004)

Protein-protein interactions by coarse-grain molecular dynamics
per: Hall, B, et al.
Publicat: (2007)

Coarse-grained modelling of DNA and DNA self-assembly
per: Ouldridge, T
Publicat: (2011)

An outer membrane protein MD simulation pipeline and database
per: Khalid, S, et al.
Publicat: (2005)

interaction of phospholipase A2 with a phospholipid bilayer: Coarse−grained molecular dynamics simulations
per: Wee, C, et al.
Publicat: (2008)

Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer.
per: Bond, P, et al.
Publicat: (2003)

Coarse-Grained Model of Tropoelastin Self-Assembly into Nascent Fibrils
per: Tarakanova, Anna
Publicat: (2020)

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly
per: Fonseca, P, et al.
Publicat: (2018)

Changes in transmembrane helix alignment by arginine residues revealed by solid-state NMR experiments and coarse-grained MD simulations.
per: Vostrikov, V, et al.
Publicat: (2010)

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly
per: Cabeleira Fonseca, P
Publicat: (2020)

Conformational dynamics of OmpA: MD simulations of a bacterial outer membrane protein
per: Bond, P, et al.
Publicat: (2004)

Interaction of diverse voltage sensor homologs with lipid bilayers revealed by self-assembly simulations.
per: Mokrab, Y, et al.
Publicat: (2011)

Carbon nanotube/detergent interactions via coarse-grained molecular dynamics.
per: Wallace, E, et al.
Publicat: (2007)

The effect of temperature and pressure on the self-assembly of dipalmitoylphosphatidylcholine using coarse-grained molecular dynamics
per: Shaari, Nurul Syahidah, et al.
Publicat: (2014)

Coarse-grained simulations of DNA overstretching.
per: Romano, F, et al.
Publicat: (2013)

The energetics of transmembrane helix insertion into a lipid bilayer.
per: Chetwynd, A, et al.
Publicat: (2010)

Membrane protein simulations: ion channels and bacterial outer membrane proteins.
per: Domene, C, et al.
Publicat: (2003)

The simulation approach to bacterial outer membrane proteins.
per: Bond, P, et al.
Publicat: (2004)

Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: conformational dynamics of a membrane protein as a function of environment.
per: Patargias, G, et al.
Publicat: (2005)