Solvent reaction coordinate for an SN2 reaction
نویسندگان
چکیده
منابع مشابه
Solvent Coordinates and Free Energy Surfaces in an Enzymatic SN2 Reaction. Elucidating the Role of Protein Structure, Flexibility and Dynamics
Conformational changes drive the protein through the catalytic cycle allowing, for example, substrate binding or product release. However, the impact of protein motions in the chemical step is a very controversial issue. It has been proposed that Transition State Theory could be insufficient to account for the catalytic effect of enzymes and that protein motions should be dynamically described....
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0002766