Matches in SemOpenAlex for { <https://semopenalex.org/work/W4286542019> ?p ?o ?g. }
- W4286542019 abstract "In this book chapter, we reviewed different classical and multi-scale methods for modeling metal ions. Specifically, we reviewed the nonbonded models, bonded model, polarizable models, reactive force field, and QM/MM methods. Each of these methods has its advantages and disadvantages. Different methods can contribute to the research on enzyme catalysis in a complementary way. Specifically, the classical models have significant speed advantages and can be employed to investigate enzyme dynamics. The QM/MM methods can simulate the bond breaking and formation processes, which can be used to study the energetic profiles along with the catalysis." @default.
- W4286542019 created "2022-07-22" @default.
- W4286542019 creator A5033243558 @default.
- W4286542019 creator A5089446211 @default.
- W4286542019 date "2022-01-01" @default.
- W4286542019 modified "2023-09-27" @default.
- W4286542019 title "Modeling Metal Ions in Enzyme Catalysis" @default.
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