Article
Kinetic Characterization of 100 Glycoside Hydrolase Mutants Enables the Discovery of Structural Features Correlated with Kinetic Constants.
PloS one - 1 Jan 2016
Carlin Dylan Alexander, Caster Ryan W, Wang Xiaokang, Betzenderfer Stephanie A, Chen Claire X, Duong Veasna M, Ryklansky Carolina V, Alpekin Alp, Beaumont Nathan, Kapoor Harshul, Kim Nicole, Mohabbot Hosna, Pang Boyu, Teel Rachel, Whithaus Lillian, Tagkopoulos Ilias, Siegel Justin B
Abstract excerpt
The use of computational modeling algorithms to guide the design of novel enzyme catalysts is a rapidly growing field. Force-field based methods have now been used to engineer both enzyme specificity and activity. However, the proportion of designed mutants with the intended function is often less than ten percent. One potential reason for this is that current force-field based approaches are trained on indirect...
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