Strength of FeS Bonds and Hydrogen Bonds in Small Molecule Inhibitors of Bacterioferritin: QM/MM and Local Mode Analysis
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DOI: 10.1002/jcc.70266
Abstract: In this study, we computationally investigated the strength of FeS chemical bonds in heme groups and hydrogen bonds in bacterioferritin (BR) from Pseudomonas aeruginosa in the presence of small molecular inhibitors. The investigations were based… read more here.
Keywords: local mode; fes bonds; hydrogen bonds; strength fes ... See more keywords