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Enzyme Homologues Have Distinct Reaction Paths through their Transition States

Recent studies of the bacterial enzymes EcMTAN and VcMTAN showed that they have different binding affinities for the same transition state analogue. This was surprising given the similarity of their active sites. We performed Transition Path Sampling simulations of both enzymes to reveal the atomic...

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Veröffentlicht in:J Phys Chem B
Hauptverfasser: Zoi, Ioanna, Motley, Matthew W., Antoniou, Dimitri, Schramm, Vern L., Schwartz, Steven D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2015
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Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4385586/
https://ncbi.nlm.nih.gov/pubmed/25650981
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp511983h
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