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Rational Engineering of a Carboxylesterase for the Synthesis of Polyesters for Biomedical Applications
preprintsubmitted on 17.02.2021, 14:30 and posted on 18.02.2021, 06:31 by Beatriz Almeida, Pedro Figueiredo, Daniel F.A.R. Dourado, Stephanie Paul, Derek J. Quinn, Thomas S. Moody, Andreia F. Sousa, Armando J.D. Silvestre, Alexandra Carvalho
Reengineered variants of a hyperthermophilic carboxylesterase with improved product yield in the synthesis of poly(ε-caprolactone) and triblock poly(ε-caprolactone)-co-poly(ethylene glycol)Methods: Quantum Mechanics/Molecular Mechanics Molecular Dynamics simulations, enzyme expression, enzymatic assays and characterization of the products.