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Computational Approach for Ranking Mutant Enzymes According to Catalytic Reaction Rates

A computationally efficient approach for ranking mutant enzymes according to the catalytic reaction rates is presented. This procedure requires the generation and equilibration of the mutant structures, followed by the calculation of partial free energy curves using an empirical valence bond potenti...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Kumarasiri, Malika, Baker, Gregory A., Soudackov, Alexander V., Hammes-Schiffer, Sharon
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2009
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2664535/
https://ncbi.nlm.nih.gov/pubmed/19235997
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp810363k
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