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Fig. 5 | Chemical Papers

Fig. 5

From: Structure-based virtual screening for assessing the efficacy of NLRP3 small molecule compounds on sepsis

Fig. 5
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Molecular dynamics analysis of ligand-receptor complexes. A RMSD reflects the stability of ligand-receptor complexes. C SASA reflects the size of the solvent-accessible surface area of responsive complexes. D Time evolution of the number of hydrogen bonds formed between the protein and ligands. E and F Free energy contribution reflects the specific energy contribution of key amino acid residues to ligand binding (blue: MCC950; red: ZYIL1)

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