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Fig. 4 | BMC Microbiology

Fig. 4

From: Comprehensive screening of potential inhibitors from ZINC15 database for Metallo-L1 Β -Lactamase from Stenotrophomonas maltophilia via in Silico and in vitro approaches

Fig. 4

Molecular Dynamics (MD) simulation analysis of ZINC393032 (blue) and ZINC616394 (green). (A) Root Mean Square Deviation (RMSD) of the protein-ligand complexes over 300 ns. (B) Root Mean Square Fluctuation (RMSF) of protein residues in complex with the ligands, along with the apoprotein (black) for comparison. (C) Number of hydrogen bonds formed between the ligands and the protein during the simulation. The results provide insights into the stability, flexibility, and interaction profiles of the ligand-bound systems

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BMC Microbiology

ISSN: 1471-2180

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