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Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions.

• Authors : Bruzzese A; Laboratory of Molecular Neuropharmacology and Bioinformatics, Unitat de Bioestadística and Institut de Neurociències, Universitat Autònoma de Barcelona, Bellaterra, Spain.; Unitat de Neurociència Traslacional, Parc Taulí Hospital Universitari, Institut d'Investigació i Innovació Parc Taulí (I3PT), Institut de Neurociències, Universitat Autònoma de Barcelona, Bellaterra, Spain.

Subjects: Adenosine A2 Receptor Agonists*/Adenosine A2 Receptor Agonists*/Adenosine A2 Receptor Agonists*/chemistry ; Adenosine A2 Receptor Agonists*/Adenosine A2 Receptor Agonists*/Adenosine A2 Receptor Agonists*/metabolism ; Phospholipids*/Phospholipids*/Phospholipids*/chemistry

• Source: PLoS computational biology [PLoS Comput Biol] 2020 Apr 16; Vol. 16 (4), pp. e1007818. Date of Electronic Publication: 2020 Apr 16 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Conformational Changes in Talin on Binding to Anionic Phospholipid Membranes Facilitate Signaling by Integrin Transmembrane Helices.

• Authors : Kalli, Antreas C.¹; Campbell, Iain D.¹; Sansom, Mark S. P.¹

• Source: PLoS Computational Biology. Oct2013, Vol. 9 Issue 10, p1-12. 12p.

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Insertion of the Ca²⁺-independent phospholipase A₂ into a phospholipid bilayer via coarse-grained and atomistic molecular dynamics simulations.

• Authors : Bucher, Denis; Hsu, Yuan-Hao; Mouchlis, Varnavas D

Subjects: Calcium; Lipid Bilayers; Phospholipids

• Source: PLoS computational biology. 9(7)

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Modeling of the axon plasma membrane structure and its effects on protein diffusion.

• Authors : Zhang Y; Department of Mechanical Engineering, University of Connecticut, Storrs, CT, United States of America.; Tzingounis AV

Subjects: Axons/Axons/Axons/*physiology ; Biological Transport/Biological Transport/Biological Transport/*physiology ; Cell Membrane/Cell Membrane/Cell Membrane/*physiology

• Source: PLoS computational biology [PLoS Comput Biol] 2019 May 02; Vol. 15 (5), pp. e1007003. Date of Electronic Publication: 2019 May 02 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations.

• Authors : Jardón-Valadez, Eduardo¹ (AUTHOR) ; Ulloa-Aguirre, Alfredo^2,3 (AUTHOR)

• Source: PLoS Computational Biology. 1/11/2024, Vol. 20 Issue 1, p1-24. 24p.

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Interaction of the human erythrocyte Band 3 anion exchanger 1 (AE1, SLC4A1) with lipids and glycophorin A: Molecular organization of the Wright (Wr) blood group antigen.

• Authors : Kalli AC; Leeds Institute of Cancer and Pathology, University of Leeds, Leeds, United Kingdom.; Astbury Centre for Structural Molecular Biology, University of Leeds, Leeds, United Kingdom.

Subjects: Anion Exchange Protein 1, Erythrocyte/Anion Exchange Protein 1, Erythrocyte/Anion Exchange Protein 1, Erythrocyte/*metabolism ; Blood Group Antigens/Blood Group Antigens/Blood Group Antigens/*metabolism ; Glycophorins/Glycophorins/Glycophorins/*metabolism

• Source: PLoS computational biology [PLoS Comput Biol] 2018 Jul 16; Vol. 14 (7), pp. e1006284. Date of Electronic Publication: 2018 Jul 16 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Analysis of Surface Protein Expression Reveals the Growth Pattern of the Gram-Negative Outer Membrane.

• Authors : Ursell, Tristan S.¹; Trepagnier, Eliane H.^2,3,4; Huang, Kerwyn Casey^1,2

• Source: PLoS Computational Biology. Sep2012, Vol. 8 Issue 9, p1-10. 10p. 1 Black and White Photograph, 1 Diagram, 4 Graphs.

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Formation of Raft-Like Assemblies within Clusters of Influenza Hemagglutinin Observed by MD Simulations.

• Authors : Parton, Daniel L.; Tek, Alex; Baaden, Marc

Subjects: MOLECULAR dynamics; HEMAGGLUTININ; LIPID rafts

• Source: PLoS Computational Biology; Apr2013, Vol. 9 Issue 4, p1-10, 10p, 1 Color Photograph, 2 Diagrams, 1 Chart, 2 Graphs

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Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion.

• Authors : Gkeka, Paraskevi; Angelikopoulos, Panagiotis; Sarkisov, Lev

Subjects: NANOPARTICLES; CHOLESTEROL; CELL fusion

• Source: PLoS Computational Biology; Dec2014, Vol. 10 Issue 12, p1-10, 10p

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How anacetrapib inhibits the activity of the cholesteryl ester transfer protein? Perspective through atomistic simulations.

• Authors : Äijänen T; Department of Physics, Tampere University of Technology, Tampere, Finland.; Koivuniemi A

Subjects: Cholesterol Ester Transfer Proteins/Cholesterol Ester Transfer Proteins/Cholesterol Ester Transfer Proteins/*antagonists & inhibitors ; Cholesterol Ester Transfer Proteins/Cholesterol Ester Transfer Proteins/Cholesterol Ester Transfer Proteins/*chemistry ; Oxazolidinones/Oxazolidinones/Oxazolidinones/*chemistry

• Source: PLoS computational biology [PLoS Comput Biol] 2014 Nov 20; Vol. 10 (11), pp. e1003987. Date of Electronic Publication: 2014 Nov 20 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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