| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382922 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠Calculated KIE of proton transfer in soybean lipoxygenase-1. ⺠Two-state approximate quantum trajectory dynamics applied to active site. ⺠QM nuclear effects were captured using approximate method with linear scaling. ⺠Proton tunneling was accurately captured, KIE agreed well with experiment.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
James Mazzuca, Sophya Garashchuk, Jacek Jakowski,