Sökning: "Annie M. Westerlund"

Hittade 2 avhandlingar innehållade orden Annie M. Westerlund.

  1. 1. Deciphering conformational ensembles and communication pathways in biomolecules

    Författare :Annie M. Westerlund; Lucie Delemotte; Erik Lindahl; Kresten Lindorff-Larsen; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; Clustering; Machine learning; Network analysis; Calmodulin; KCNQ1; Biological Physics; Biologisk fysik;

    Sammanfattning : Life is constructed by small building blocks called cells. Proteins are the biomolecules within these cells which carry out different functions. Proteins located in the cell membrane, for example, allow for the transport of ions and small molecules, as well as communication, across the cell membrane. LÄS MER

  3. 2. Computational Study of Calmodulin’s Ca2+-dependent Conformational Ensembles

    Författare :Annie M. Westerlund; Erik Lindahl; Lucie Delemotte; Björn Wallner; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; Calmodulin; Free energy estimation; Gaussian mixture models; Spectral clustering; conformational selection; Biological Physics; Biologisk fysik;

    Sammanfattning : Ca2+ and calmodulin play important roles in many physiologically crucial pathways. The conformational landscape of calmodulin is intriguing. Conformational changes allow for binding target-proteins, while binding Ca2+ yields population shifts within the landscape. Thus, target-proteins become Ca2+-sensitive upon calmodulin binding. LÄS MER