A Practical and Fast Method To Predict the Thermodynamic Preference of ω‐Transaminase‐Based Transformations. Issue 17 (20th August 2015)

• Record Type: Journal Article
• Authors: Meier, Robert J.; Gundersen, Maria T.; Woodley, John M.; Schürmann, Martin
• Is Part Of: ChemCatChem. Volume 7:Issue 17(2015:Sep.)
• Page Start: 2594
• Page End: 2597
• Publication Date: 2015-08-20
• Subjects: Catalysis -- Periodicals; 541.39505
• DOI: 10.1002/cctc.201500347
• Languages: English
• ISSNs: 1867-3880

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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 deselect, 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.</p> </abstract>