Browsing Department of Chemistry by Journals "Journal of Chemical Theory and Computation"
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Quantitative Comparison against Experiments Reveals Imperfections in Force Fields’ Descriptions of POPC-Cholesterol Interactions
(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 ...