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Ab Initio Evaluation of the Potential Surface for General Base- Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases

✍ Scribed by Štrajbl, Marek; Florián, Jan; Warshel, Arieh


Book ID
126407757
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
221 KB
Volume
122
Category
Article
ISSN
0002-7863

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✍ Marek Štrajbl; Jan Florián; Arieh Warshel 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 411 KB 👁 2 views

A systematic ab initio study of the reactions of amides with alcohols and thiols in aqueous solution is presented. This study is aimed at providing well-defined reference free-energy surfaces for the corresponding studies of the catalytic power of serine and cysteine protease. The applied methodolog