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GEM2023

Mar 14 – 17, 2023
Europe/Paris timezone

Emily RYAN

Session

Computational methods

Mar 17, 2023, 10:20 AM

Presentation materials

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  1. 91. Free energy landscape of pore and stalk formation are greatly modified by lipid composition and lipid-protein interactions
    Jochen HUB
    3/17/23, 10:20 AM
    Invited

    Topological transitions of membranes, such as pore formation or membrane fusion, play key roles biophysical processes including exocytosis, viral infection, intracellular trafficking, proton transport, and many others. In biological cells these transitions are carried out by complex, asymmetric membranes composed of thousands of lipid species and crowded by membrane proteins. How the lipid...

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  2. 70. Birth of an organelle, in silico: molecular mechanism of lipid droplet budding
    Dr Luca Monticelli (MMSB, CNRS)
    3/17/23, 11:00 AM
    Oral

    Lipid droplets (LDs) are organelles regulating lipid storage and metabolism in cells. LD biogenesis takes place mostly in the endoplasmic reticulum (ER), and starts with the synthesis of neutral lipids, such as triglycerides. When the concentration of neutral lipids reaches a certain threshold, oil droplets form by phase-separation, yielding a lens-shaped nascent lipid droplet – a process...

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  3. 18. Small-Angle Neutron Scattering of a Pentameric Ligand-Gated Ion Channel Reveals a Dynamic Regulatory Domain
    Marie Lycksell (Stockholm University)
    3/17/23, 11:20 AM
    Oral

    Pentameric ligand-gated ion channels (pLGICs) perform electrochemical signal transduction in organisms ranging from bacteria to humans. Among the prokaryotic pLGICs there is an architectural diversity involving N-terminal domains (NTDs) not found for the eukaryotic relatives, exemplified by the calcium-sensitive channel DeCLIC. Here, we characterized DeCLIC structure using cryogenic electron...

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  4. 36. Deciphering the structural defects from SNP variants of ABCB4 transporter by means of molecular dynamics simulations
    Ms Veronica Crespi (Inserm U1248 Pharmacology & Transplantation, University of Limoges, Limoges, France)
    3/17/23, 11:40 AM
    Oral

    Bile secretion is an essential function of the liver for the elimination of xenobiotics and endogenous metabolites. This function mostly relies on membrane transporters located at the canalicular membrane of hepatocytes, such as the ATP-binding cassette (ABC) transporter ABCB4 responsible for phosphatidylcholine (PC) secretion into bile. Variations in the ABCB4 gene were reported from...

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  5. 7. Computational methods
    Prof. Birgit Schiott (Aarhus University, Aarhus, DK)
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