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Showing 1–5 of 5 results
Advanced filters: Author: Sebastian Thallmair Clear advanced filters

  • This work presents GōMartini 3, an improved coarse-grained protein model combining physics- and structure-based approaches. It boosts computational efficiency and accuracy for structured soluble and membrane as well as disordered peptides/proteins.

    • Paulo C. T. Souza
    • Luís Borges-Araújo
    • Sebastian Thallmair
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-19

  • Computer-aided design of protein-ligand binding is important for the development of novel drugs. Here authors present an approach to use the recently re-parametrized coarse-grained Martini model to perform unbiased millisecond sampling of protein-ligand binding interactions of small drug-like molecules.

    • Paulo C. T. Souza
    • Sebastian Thallmair
    • Siewert J. Marrink
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-11

  • Fluorescent sensors that are responsive only in a specific subcellular location have remained elusive. Now, a chemogenetic sensing platform has been developed to sense glutathione in a user-defined organelle of interest. These tools enable quantitative studies of subcellular glutathione homeostasis using visible or near-infrared wavelengths.

    • Sarah Emmert
    • Gianluca Quargnali
    • Pablo Rivera-Fuentes
    ResearchOpen Access
    Nature Chemistry
    Volume: 15, P: 1415-1421

  • The authors explore how sensory maps are reshaped by experience in vivo, using chronic two-photon calcium imaging to follow whisker-evoked activity of individual layer 2/3 neurons in adult mouse barrel cortex over weeks. By first measuring activity with whiskers intact and then with continued trimming of all but one whisker, they describe how the redistribution of population activity underlies large-scale cortical remapping.

    • David J Margolis
    • Henry Lütcke
    • Fritjof Helmchen
    Research
    Nature Neuroscience
    Volume: 15, P: 1539-1546