Sökning: "Kresten Lindorff-larsen"

Hittade 3 avhandlingar innehållade orden Kresten Lindorff-larsen.

  1. 1. Alexandria: A General Drude Polarizable Force Field with Spherical Charge Density

    Författare :Mohammad Mehdi Ghahremanpour; David Van der Spoel; Kresten Lindorff-Larsen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular mechanics; Force field; Drude oscillator model; Alexandria library; GROMACS; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Molecular-mechanical (MM) force fields are mathematical functions that map the geometry of a molecule to its associated energy. MM force fields have been extensively used for an atomistic view into the dynamic and thermodynamics of large molecular systems in their condensed phase. LÄS MER

  3. 2. Combining low resolution, high resolution, functional, and simulation techniques : In the study of pentameric ligand-gated ion channels

    Författare :Marie Lycksell; Erik Lindahl; Kresten Lindorff-Larsen; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Neutrons; Small-angle scattering; Cryo-EM; Simulations; Ion channels; Biophysics; biofysik;

    Sammanfattning : Combining methods yielding different information is a powerful approach for understanding structural biology in general, and in particular systems such as pentameric ligand-gated ion channels (pLGICs). Pentameric ligand-gated ion channels are membrane proteins that sense chemical signals, which they convert to changes in membrane potential. LÄS MER

  4. 3. 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