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Article

Critical assessment of the FeC and CO bond strength in carboxymyoglobin: a QM/MM local vibrational mode study.

Journal of molecular modeling - 24 Sept 2020

Freindorf Marek, Kraka Elfi

Abstract excerpt

The interplay between FeC and CO bonding in carboxymyoglobin (MbCO) and the role of potential hydrogen bonding between the CO moiety and the side chains of the surrounding protein amino acids have been the subject of numerous experimental and theoretical studies. In this work, we present a quantitative measure for the intrinsic FeC and CO bond strength in MbCO, as well as for CO⋯H bonding, based on the local...

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PMID: 32970192
DOI: 10.1007/s00894-020-04519-w

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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