Blar i Bergen Open Research Archive på forfatter "Ollila, O. H. Samuli"
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Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks
Antila, Hanne S.; Kav, Batuhan; Miettinen, Markus Sakari; Martinez-Seara, Hector; Jungwirth, Pavel; Ollila, O. H. Samuli (Journal article; Peer reviewed, 2022)Molecular simulations of biological membranes and proxies thereof are entering a new era characterized by several key aspects. Progress starts with the realization that the outcome of the simulations can only be as good ... -
Quantitative Comparison against Experiments Reveals Imperfections in Force Fields’ Descriptions of POPC-Cholesterol Interactions
Javanainen, Matti; Heftberger, Peter; Madsen, Jesper J.; Miettinen, Markus; Pabst, Georg; Ollila, O. H. Samuli (Journal article; Peer reviewed, 2023)Cholesterol is a central building block in biomembranes, where it induces orientational order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular dynamics (MD) simulations have played a ...