Coarse-grained molecular dynamics simulations of membrane proteins and peptides.

Coarse-grained molecular dynamics simulations of membrane proteins and peptides.

Molecular dynamics (MD) simulations provide a valuable approach to the dynamics, structure, and stability of membrane-protein systems. Coarse-grained (CG) models, in which small groups of atoms are treated as single particles, enable extended (>100 ns) timescales to be addressed. In this stud...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Bond, P, Holyoake, J, Ivetac, A, Khalid, S, Sansom, MS
Fformat:	Journal article
Iaith:	English
Cyhoeddwyd:	2007

Eitemau Tebyg

Coarse-grained MD simulations of membrane protein-bilayer self-assembly.
gan: Scott, K, et al.
Cyhoeddwyd: (2008)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Membrane proteins: molecular dynamics simulations.
gan: Lindahl, E, et al.
Cyhoeddwyd: (2008)

Molecular Dynamics simulations of spontaneous micelle formation around membrane proteins.
gan: Bond, P, et al.
Cyhoeddwyd: (2005)

Membrane protein structure quality in molecular dynamics simulation.
gan: Law, R, et al.
Cyhoeddwyd: (2005)

Coarse-grained molecular dynamics simulations of biomolecules
gan: Ken Takahashi, et al.
Cyhoeddwyd: (2014-03-01)

Coarse-grained molecular dynamics simulations of biomolecules
gan: Ken Takahashi, et al.
Cyhoeddwyd: (2014-03-01)

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

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

Molecular Dynamics Scoring of Protein–Peptide Models Derived from Coarse-Grained Docking
gan: Mateusz Zalewski, et al.
Cyhoeddwyd: (2021-05-01)

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

Differential Interaction of Antimicrobial Peptides with Lipid Structures Studied by Coarse-Grained Molecular Dynamics Simulations
gan: Galo E. Balatti, et al.
Cyhoeddwyd: (2017-10-01)

OmpA: gating and dynamics via molecular dynamics simulations.
gan: Khalid, S, et al.
Cyhoeddwyd: (2008)

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

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

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

Molecular simulation approaches to membrane proteins.
gan: Stansfeld, P, et al.
Cyhoeddwyd: (2011)

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

Molecular dynamics simulations of membrane proteins.
gan: Biggin, P, et al.
Cyhoeddwyd: (2008)

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

Conformational change in an MFS protein: MD simulations of LacY.
gan: Holyoake, J, et al.
Cyhoeddwyd: (2007)

Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins.
gan: Sansom, MS, et al.
Cyhoeddwyd: (2005)

Estimating Factors Determining Emulsification Capability of Surfactant-Like Peptide with Coarse-Grained Molecular Dynamics Simulation
gan: Tegar Wijaya, et al.
Cyhoeddwyd: (2019-05-01)

Dissipative particle dynamics for advanced coarse-grained molecular dynamics simulation
gan: Emadaldin Moeendarbary
Cyhoeddwyd: (2010)

Coarse-grained computer simulation of dynamics in thylakoid membranes: methods and opportunities
gan: Anna Rachel Schneider, et al.
Cyhoeddwyd: (2014-01-01)

Coarse-Grained Models Reveal Functional Dynamics – II. Molecular Dynamics Simulation at the Coarse-Grained Level – Theories and Biological Applications
gan: Choon-Peng Chng, et al.
Cyhoeddwyd: (2008-03-01)