Fig. 4 | Scientific Reports

Fig. 4

From: Exploring propolis-derived compounds as quorum sensing inhibitors for Candida albicans: a molecular docking and dynamics simulations study

Fig. 4

MD simulations analysis. (a) Histogram of CYC-farnesol interactions; (b) Histogram of CYC-KCG interactions; (c) Histogram of CYC-IGR interactions; (d) CYC-farnesol timeline; (e) CYC-KCG contact timeline; (f) CYC-IGR contact timeline; (g) rGyr and SASA of farnesol; (h) rGyr and SASA of KCG; (i) rGyr and SASA of IGR in complex with CYC during 100 ns MD simulation.

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