In Silico engineered SmSDR enzyme for the preparation of enantiopure R- phenylephrine
September 15-19, 2019
It is a well-established fact that in silico enzyme engineering approaches such as molecular modeling, docking, simulation, provide molecular level understanding of the function of biocatalyst and specifically the role of mutational sites. These standalone protocols deliver the understanding of either Michaelis complex formation or the transition state formation or entry/exit path of the substrate. However, an intelligent workflow of these protocols can be applied for not only engineering of enzymes but to design them in silico. Quantumzyme has developed QZyme WorkbenchTM, an integrated workflow using open source computational methods and proprietary scripts for scanning all the events involved in the biocatalytic process. The aim of this workbench is to conduct in silico protein design and is routinely leveraged to engineer enzyme for achieving desirable functions.
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Sindrila Dutta Banik, Rithvik Vinekar, and Naveen Kulkarni, "In Silico engineered SmSDR enzyme for the preparation of enantiopure R- phenylephrine" in "Enzyme Engineering XXV", Huimin Zhao, University of Illinois at Urbana-Champaign, USA John Wong, Pfizer, USA Eds, ECI Symposium Series, (2019). https://dc.engconfintl.org/enzyme_xxv/114