Quantum mechanical study of the hydride
✍
György G. Ferenczy; Gábor Náray–Szabó; Péter Várnai
📂
Article
📅
1999
🏛
John Wiley and Sons
🌐
English
⚖ 475 KB
👁 2 views
The rate-limiting hydride shift step of the xylose isomerase catalytic reaction was studied with our fragment self-consistent field method designed for very large electronic systems. The method is based on a model partitioning the enzyme and the surrounding biophase into central, polarizable and non