Wide transition-state ensemble as key component for enzyme catalysis

Transition-state (TS) theory has provided the theoretical framework to explain the enormous rate accelerations of chemical reactions by enzymes. Given that proteins display large ensembles of conformations, unique TSs would pose a huge entropic bottleneck for enzyme catalysis. To shed light on this...

पूर्ण विवरण

ग्रंथसूची विवरण

मुख्य लेखकों:	Gabriel E Jara, Francesco Pontiggia, Renee Otten, Roman V Agafonov, Marcelo A Martí, Dorothee Kern
स्वरूप:	Artigo
भाषा:	Inglês
प्रकाशित:	eLife Sciences Publications Ltd 2025-02-01
श्रृंखला:	eLife
विषय:	QM/MM transition state steered molecular dynamics free-energy calculations phosphoryl-transfer reactions adenylate kinase
ऑनलाइन पहुंच:	https://elifesciences.org/articles/93099
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