QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis

It is a grand attraction for contemporary biochemists to computationally design enzymes for novel chemical transformation or improved catalytic efficiency. Rosetta by Baker et al. is no doubt the leading software in the protein design society. Generally, optimization of the transition state (TS) is...

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Detalles Bibliográficos
Autores principales: Wang, Xia, Li, Ruirui, Cui, Wenchao, Li, Qiang, Yao, Jianzhuang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5935664/
https://www.ncbi.nlm.nih.gov/pubmed/29728674
http://dx.doi.org/10.1038/s41598-018-25471-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5935664/
https://www.ncbi.nlm.nih.gov/pubmed/29728674
http://dx.doi.org/10.1038/s41598-018-25471-z

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