Browsing University of Bergen Library by Subject "Celle membran modellering"

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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 ...
Structure of POPC Lipid Bilayers in OPLS3e Force Field

Kurki, Milla; Poso, Antti; Bartos, Piia; Miettinen, Markus (Journal article; Peer reviewed, 2022)

It is crucial for molecular dynamics simulations of biomembranes that the force field parameters give a realistic model of the membrane behavior. In this study, we examined the OPLS3e force field for the carbon−hydrogen ...