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Rational Engineering of a Carboxylesterase for the Synthesis of Polyesters for Biomedical Applications

18 February 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

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.

Keywords

Rational design
enzyme synthesis
QM/MM MD simulations
polycaprolactone
polyethylene glycol

Supplementary materials

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Version History

Feb 18, 2021 Version 1

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License

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.14045915.v1
D O I: 10.26434/chemrxiv.14045915.v1 [opens in a new tab]

Funding

FCT

Author’s competing interest statement

No competing interests to declare

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