Published September 17, 2021
| Version v1
Dataset
Open
Structures of reaction intermediates of the NAAG hydrolysis by glutamate carboxypeptidase II
Authors/Creators
- 1. Lomonosov Moscow State University
- 2. Federal Research Centre "Fundamentals of Biotechnology" of the Russian Academy of Sciences
Description
Representative frames from the molecular dynamics simulations in the regions of minima along the reaction path calculated at the QM(PBE0-D3/6-31G**)/MM(AMBER) level.
Files
Files
(44.5 MB)
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md5:75c673663316168c7ec09f294c13eabe
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md5:9694411687aba1f68b312dbb64b5370b
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md5:6f122f408d0a5068fb2976bd7ee1a934
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md5:15bf1e66882865e1b84dc9f3b5105a7b
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6.4 MB | Download |
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md5:8e1fd4b0ee72785a79e77ac600776f48
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6.4 MB | Download |