Insights into membrane protein-lipid interactions from free energy calculations

Insights into membrane protein-lipid interactions from free energy calculations

Integral membrane proteins are regulated by specific interactions with lipids from the surrounding bilayer. The structures of protein−lipid complexes can be determined through a combination of experimental and computational approaches, but the energetic basis of these interactions is difficult to re...

Ausführliche Beschreibung

Bibliographische Detailangaben
Hauptverfasser:	Corey, R, Vickery, O, Sansom, M, Stansfeld, P
Format:	Journal article
Sprache:	English
Veröffentlicht:	American Chemical Society 2019

Ähnliche Einträge

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

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

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

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

PyLipID: a Python package for analysis of protein-lipid interactions from MD simulations
von: Song, W, et al.
Veröffentlicht: (2022)

Balancing force field protein-lipid interactions to capture transmembrane helix-helix association
von: Domański, J, et al.
Veröffentlicht: (2018)

Memprotmd: adding the grease to membrane protein structures
von: Stansfeld, P, et al.
Veröffentlicht: (2012)

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

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

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

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

A lipid gating mechanism for the channel-forming O antigen ABC transporter
von: Caffalette, C, et al.
Veröffentlicht: (2019)

Crystallographic insights into lipid-membrane protein interactions in microbial rhodopsins
von: S. Bukhdruker, et al.
Veröffentlicht: (2024-11-01)

Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association
von: Domański, J, et al.
Veröffentlicht: (2016)

LipIDens: simulation assisted interpretation of lipid densities in cryo-EM structures of membrane proteins
von: Ansell, TB, et al.
Veröffentlicht: (2023)

Membrane binding of antimicrobial peptides is modulated by lipid charge modification
von: Simcock, P, et al.
Veröffentlicht: (2021)

A label-free approach for measuring interactions of proteins with lipid membranes
von: Gregor Anderluh
Veröffentlicht: (2023-11-01)

The role of lipids in defining membrane protein interactions: insights from mass spectrometry
von: Barrera, N, et al.
Veröffentlicht: (2012)

The role of lipids in defining membrane protein interactions: insights from mass spectrometry.
von: Barrera, N, et al.
Veröffentlicht: (2013)

Reduced lateral mobility of lipids and proteins in crowded membranes.
von: Joseph E Goose, et al.
Veröffentlicht: (2013-04-01)

Dynamic interactions between a membrane binding protein and lipids induce fluctuating diffusivity
von: Yamamoto, E, et al.
Veröffentlicht: (2017)

The closed gate of the nicotinic receptor, identified by molecular dynamics free energy calculations
von: Beckstein, O, et al.
Veröffentlicht: (2005)

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

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

Interactions of a bacterial Cu(I)-ATPase with a complex lipid environment
von: Autzen, H, et al.
Veröffentlicht: (2018)

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

The free energy landscape of dimerization of a membrane protein, NanC.
von: Thomas A Dunton, et al.
Veröffentlicht: (2014-01-01)

Interactions of perihperal membrane proteins with phosphatidylinositol lipids: insights from molecular dynamics simulations
von: Naughton, F
Veröffentlicht: (2017)

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

G protein-coupled receptor lipid interactions: Insights from molecular dynamics simulations
von: Hedger, G, et al.
Veröffentlicht: (2017)

LipIDens: simulation assisted interpretation of lipid densities in cryo-EM structures of membrane proteins
von: T. Bertie Ansell, et al.
Veröffentlicht: (2023-11-01)

Free energy landscape of lipid interactions with regulatory binding sites on the transmembrane domain of the EGF receptor
von: Sansom, M, et al.
Veröffentlicht: (2016)

The role of interfacial lipids in stabilising membrane protein oligomers
von: Gupta, K, et al.
Veröffentlicht: (2017)

Computational studies of membrane proteins: from sequence to structure to simulation.
von: Stansfeld, P
Veröffentlicht: (2017)

Probing membrane protein-lipid interactions
von: Agasid, MT, et al.
Veröffentlicht: (2021)

Membrane compartmentalization reduces the mobility of lipids and proteins within a model plasma membrane
von: Sansom, M, et al.
Veröffentlicht: (2016)

Multiple lipid binding sites determine the affinity of PH domains for phosphoinositide-containing membranes
von: Domański, J, et al.
Veröffentlicht: (2020)

Structural insights into membrane proteins, membrane protein-lipid interactions and drug metabolites in the gas-phase from ion mobility mass spectrometry
von: Reading, E
Veröffentlicht: (2014)

Association of peripheral membrane proteins with membranes: free energy of binding of GRP1 PH domain with phosphatidylinositol phosphate-containing model bilayers
von: Naughton, F, et al.
Veröffentlicht: (2016)

Free energy calculations in biomolecule-nanomaterial interactions
von: Hongze Fu, et al.
Veröffentlicht: (2024-09-01)