Fig. 3 | Scientific Reports

Fig. 3

From: Combining kinetics and in silico approaches to evaluate bromhexine as an anti-pancreatic lipase agent for obesity management

Fig. 3

(A,B) Root-mean-square deviation (RMSD) values for the protein and ligand during one of the triplicate 200 ns MD simulations. (C) Root-mean-square fluctuations (RMSF) of PL during 200 ns MD simulations in complex with Bromhexine and Orlistat. Gray arrows correspond to the location of the catalytic residues. Blue arrows indicate the parts of the protein that undergo more movement during the simulation (see text for details).

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