Molecular dynamics simulation and molecular docking computations are applied to FLO1 protein from brewing yeast Saccharomyces cerevisiae to get in-depth insights into cell flocculation, which has attracted a lot of attention in bioindustry for its advantage in simple and cheap biomass recovery as well as improved stress tolerance. The structural changes of FLO1 protein and its interactions with metal cations and sugar molecules are presented to help understanding the FLO1 protein adhesion on the yeast cell surface and the relevant cell aggregation.

Understanding the cell flocculation of <i>Saccharomyces cerevisiae</i>: Binding and simulation of FLO1 protein

248th National Meeting (2014)

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Understanding the cell flocculation of Saccharomyces cerevisiae: Binding and simulation of FLO1 protein