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THEMATICS: A simple computational predictor of enzyme function from structure

We show that theoretical microscopic titration curves (THEMATICS) can be used to identify active-site residues in proteins of known structure. Results are featured for three enzymes: triosephosphate isomerase (TIM), aldose reductase (AR), and phosphomannose isomerase (PMI). We note that TIM and AR h...

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Autori principali: Ondrechen, Mary Jo, Clifton, James G., Ringe, Dagmar
Natura: Artigo
Lingua:Inglês
Pubblicazione: The National Academy of Sciences 2001
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC60078/
https://ncbi.nlm.nih.gov/pubmed/11606719
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.211436698
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