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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 ...