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Calculation of substrate binding affinities for a bacterial GH78 rhamnosidase through molecular dynamics simulations

Ram2 from Pediococcus acidilactici is a rhamnosidase from the glycoside hydrolase family 78. It shows remarkable selectivity for rutinose rather than para-nitrophenyl-alpha-l-rhamnopyranoside (p-NPR). Molecular dynamics simulations were performed using a homology model of this enzyme, in complex wit...

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Bibliografski detalji
Glavni autori: Grandits, Melanie, Michlmayr, Herbert, Sygmund, Christoph, Oostenbrink, Chris
Format: Artigo
Jezik:Inglês
Izdano: Elsevier Science 2013
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3663046/
https://ncbi.nlm.nih.gov/pubmed/23914137
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molcatb.2013.03.012
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