CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.

CGDB: a database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations.

Membrane protein function and stability has been shown to be dependent on the lipid environment. Recently, we developed a high-throughput computational approach for the prediction of membrane protein/lipid interactions. In the current study, we enhanced this approach with the addition of a new measu...

Bibliografiset tiedot
Päätekijät:	Chetwynd, A, Scott, K, Mokrab, Y, Sansom, MS
Aineistotyyppi:	Journal article
Kieli:	English
Julkaistu:	2008

Samankaltaisia teoksia

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

A Coarse Grained Model for a Lipid Membrane with Physiological Composition and Leaflet Asymmetry.
Tekijä: Satyan Sharma, et al.
Julkaistu: (2015-01-01)

Interactions of membranes with coarse-grain proteins: a comparison
Tekijä: Jörg Neder, et al.
Julkaistu: (2012-01-01)

Assessing the Interaction between Dodecylphosphocholine and Dodecylmaltoside Mixed Micelles as Drug Carriers with Lipid Membrane: A Coarse-Grained Molecular Dynamics Simulation
Tekijä: Atefeh Gholizadeh, et al.
Julkaistu: (2024-09-01)

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

Coarse-Grained MD Simulations of Opioid Interactions with the <i>μ</i>-Opioid Receptor and the Surrounding Lipid Membrane
Tekijä: Sourav Ray, et al.
Julkaistu: (2023-04-01)

The ELBA force field for coarse-grain modeling of lipid membranes.
Tekijä: Mario Orsi, et al.
Julkaistu: (2011-01-01)

Lipid-protein interactions of integral membrane proteins: a comparative simulation study.
Tekijä: Deol, S, et al.
Julkaistu: (2004)

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

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

LimeSeg: a coarse-grained lipid membrane simulation for 3D image segmentation
Tekijä: Sarah Machado, et al.
Julkaistu: (2019-01-01)

Membrane proteins: molecular dynamics simulations.
Tekijä: Lindahl, E, et al.
Julkaistu: (2008)

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

Multiscale simulations of lipid interactions with integral membrane proteins: aquaporins
Tekijä: Stansfeld, P, et al.
Julkaistu: (2011)

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

The MemProtMD database: A resource for membrane-embedded protein structures and their lipid interactions
Tekijä: Newport, T, et al.
Julkaistu: (2018)

Coarse-grained molecular dynamics simulations of immobilized micelle systems and their interactions with hydrophobic molecules
Tekijä: Gokhale, Devashish, et al.
Julkaistu: (2022)

Exploring TRPC3 Interaction with Cholesterol through Coarse-Grained Molecular Dynamics Simulations
Tekijä: Amy Clarke, et al.
Julkaistu: (2022-06-01)

Lipid/protein interactions and the membrane/water interfacial region.
Tekijä: Domene, C, et al.
Julkaistu: (2003)

Molecular mechanism underlying the selective attack of trehalose lipids on cancer cells as revealed by coarse-grained molecular dynamics simulations
Tekijä: Ryosuke Hirano, et al.
Julkaistu: (2021-03-01)

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