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Structural-Based Modeling in Protein Engineering. A Must Do

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10.1021/acs.jpcb.1c02545
 
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hdl:2117/349184

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Roda, Sergi
Robles -Martin, Ana
Xiang, Ruite
Kazemi, Masoud
Guallar, VictorMés informació
Document typeArticle
Defense date2021
PublisherAmerican Chemical Society
Rights accessOpen Access
All rights reserved. This work is protected by the corresponding intellectual and industrial property rights. Without prejudice to any existing legal exemptions, reproduction, distribution, public communication or transformation of this work are prohibited without permission of the copyright holder
Abstract
Biotechnological solutions will be a key aspect in our immediate future society, where optimized enzymatic processes through enzyme engineering might be an important solution for waste transformation, clean energy production, biodegradable materials, and green chemistry, for example. Here we advocate the importance of structural-based bioinformatics and molecular modeling tools in such developments. We summarize our recent experiences indicating a great prediction/success ratio, and we suggest that an early in silico phase should be performed in enzyme engineering studies. Moreover, we demonstrate the potential of a new technique combining Rosetta and PELE, which could provide a faster and more automated procedure, an essential aspect for a broader use.
CitationRoda, S. [et al.]. Structural-Based Modeling in Protein Engineering. A Must Do. "The Journal of Physical Chemistry B", 2021, vol. 125, núm. 24, p. 6491-6500. 
URIhttp://hdl.handle.net/2117/349184
DOI10.1021/acs.jpcb.1c02545
ISSN1520-6106
Publisher versionhttps://pubs.acs.org/doi/abs/10.1021/acs.jpcb.1c02545
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