The interaction of C60 and its derivatives with a lipid bilayer via molecular dynamics simulations.

The interaction of C60 and its derivatives with a lipid bilayer via molecular dynamics simulations.

Coarse-grained molecular dynamics simulations have been used to explore the interactions of C(60) and its derivatives with lipid bilayers. Pristine C(60) partitions into the bilayer core, whilst C(60)(OH)(20) experiences a central energetic barrier to permeation across the bilayer. For intermediate...

Fuld beskrivelse

Bibliografiske detaljer
Main Authors:	D'Rozario, R, Wee, C, Wallace, E, Sansom, MS
Format:	Journal article
Sprog:	English
Udgivet:	2009

Lignende værker

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

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

Simulation studies of the interaction of antimicrobial peptides and lipid bilayers.
af: La Rocca, P, et al.
Udgivet: (1999)

A multiscale simulation study of carbon nanotube interactions with designed amphiphilic peptide helices.
af: Wallace, E, et al.
Udgivet: (2010)

Helix dynamics in a membrane transport protein: comparative simulations of the glycerol-3-phosphate transporter and its constituent helices.
af: D'Rozario, R, et al.
Udgivet: (2008)

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

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

Molecular Dynamics Study of CNT Nanopores Embedded in Lipid Bilayers
af: Wallace, E, et al.
Udgivet: (2010)

Lipid bilayer deformation and the free energy of interaction of a Kv channel gating-modifier toxin.
af: Wee, C, et al.
Udgivet: (2008)

Proline-induced hinges in transmembrane helices: A molecular dynamics study
af: D'Rozario, R, et al.
Udgivet: (2005)

How does a voltage sensor interact with a lipid bilayer? Simulations of a potassium channel domain.
af: Sands, Z, et al.
Udgivet: (2007)

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

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

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

Lipid bilayer deformation and the free energy of interaction of a Kv channel gating−modifier toxin
af: Wee, C, et al.
Udgivet: (2008)

A helix heterodimer in a lipid bilayer: prediction of the structure of an integrin transmembrane domain via multiscale simulations.
af: Kalli, A, et al.
Udgivet: (2011)

Simulation studies of alamethicin-bilayer interactions
af: Biggin, P, et al.
Udgivet: (1997)

Comparative computational study of interaction of C60-fullerene and tris-malonyl-C60-fullerene isomers with lipid bilayer: relation to their antioxidant effect.
af: Marine E Bozdaganyan, et al.
Udgivet: (2014-01-01)

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

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

The structure of the talin/integrin complex at a lipid bilayer: an NMR and MD simulation study.
af: Kalli, A, et al.
Udgivet: (2010)

Vstx1, a modifier of Kv channel gating, localizes to the interfacial region of lipid bilayers.
af: Bemporad, D, et al.
Udgivet: (2006)

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

Lipid bilayer membrane perturbation by embedded nanopores: a simulation study
af: Garcia-Fandino, R, et al.
Udgivet: (2016)

Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer.
af: Shrivastava, I, et al.
Udgivet: (2000)

Molecular dynamics simulations of the bacterial UraA H+-uracil symporter in lipid bilayers reveal a closed state and a selective interaction with cardiolipin.
af: Antreas C Kalli, et al.
Udgivet: (2015-03-01)

Monotopic enzymes and lipid bilayers: a comparative study.
af: Fowler, P, et al.
Udgivet: (2007)

Asymmetric stability among the transmembrane helices of lactose permease.
af: Bennett, M, et al.
Udgivet: (2006)

Membrane/Toxin Interaction Energetics via Serial Multiscale Molecular Dynamics Simulations
af: Wee, C, et al.
Udgivet: (2010)

SGTx1, a Kv channel gating-modifier toxin, binds to the interfacial region of lipid bilayers.
af: Wee, C, et al.
Udgivet: (2007)

The energetics of protein-lipid interactions as viewed by molecular simulations
af: Corey, RA, et al.
Udgivet: (2019)

Molecular Dynamics Studies of Lipophilic Small Molecule TRPV1 Ligands in Lipid Bilayers
af: Hanson, S, et al.
Udgivet: (2013)

Interactions of pleckstrin homology domains with membranes: adding back the bilayer via high throughput molecular dynamics
af: Yamamoto, E, et al.
Udgivet: (2016)

Alcohol Interactions with Lipid Bilayers
af: Tomáš Kondela, et al.
Udgivet: (2017-11-01)

Bacteriorhodopsin in the purple membrane
af: D'Rozario, R, et al.
Udgivet: (2007)

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

Magic-angle spinning NMR structure of Opa60 in lipid bilayers
af: Marcel C. Forster, et al.
Udgivet: (2024-06-01)

Interactions between a voltage sensor and a toxin via multiscale simulations.
af: Wee, C, et al.
Udgivet: (2010)

Modeling the molecular fingerprint of protein-lipid interactions of MLKL on complex bilayers
af: Ricardo X. Ramirez, et al.
Udgivet: (2023-01-01)

Interaction of Bile Salts With Lipid Bilayers: An Atomistic Molecular Dynamics Study
af: Maria C. Neves, et al.
Udgivet: (2019-04-01)