Journal article
A Practical and Fast Method To Predict the Thermodynamic Preference of omega-Transaminase-Based Transformations
A simple, easy-to-use, and fast approach method is proposed and validated that can predict whether a transaminase reaction is thermodynamically unfavourable. This allowed us to de-select, in the present case, at least 50% of the reactions because they were thermodynamically unfavourable as confirmed by experiment.
Once a larger data base is established, in silico screening of several new reactions (new target molecules) can easily be performed each day.
Language: | English |
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Year: | 2015 |
Pages: | 2594-2597 |
ISSN: | 18673899 and 18673880 |
Types: | Journal article |
DOI: | 10.1002/cctc.201500347 |
ORCIDs: | Gundersen Deslauriers, Maria and Woodley, John |