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Molecular modeling supports this proposal.
Molecular modeling supports this interpretation.
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The generated molecular model supports a stable assembled supercomplex with defined architecture which permits energetically efficient coupling of menaquinol oxidation and dioxygen reduction in one supramolecular entity.
The molecular model, supported by the single-molecule analysis, allowed us to estimate an apparent length of the clostridial chimera of ∼23 nm.
The experiments and the molecular modelling that supports them, and which provides mechanistic insights, have been carefully performed.
In the present study, we provide evidence of a molecular model in support of this hypothesis.
Our molecular modelling results support many preceding observations concerning the biochemical properties of BBPs but also impugn some of the previous hypothesis.
Although our molecular model is supported by experimental data and showed strong predictive power, it remains hypothetical and we cannot exclude that other structural complexes could satisfy our constraints, or that some of the constraints are wrong.
Molecular modeling is described in Supporting Information S1.
These data suggested that the complex of HLA-DR/TP5 was the most stable, and further indicated that the molecular modeling was feasible for supporting the assumption of TP5 binding to HLA-DR.
The design of these potential STS inhibitors was supported by molecular modeling techniques.
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