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

Autor:	Armando J. D. Silvestre, Stephanie Paul, Derek J. Quinn, Daniel F. A. R. Dourado, Alexandra T. P. Carvalho, Beatriz C. Almeida, Pedro Figueiredo, Andreia F. Sousa, Thomas S. Moody
Rok vydání:	2021
Předmět:	Polyester Carboxylesterase chemistry.chemical_compound Molecular dynamics chemistry Yield (chemistry) Rational design Polyethylene glycol Molecular mechanics Ethylene glycol Combinatorial chemistry
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1959d0c8c26828f5b3f470acfce074dc https://doi.org/10.26434/chemrxiv.14045915 Zobrazit plný text záznamu