metalloenzyme design
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Successes and Challenges in Multiscale Modelling of Artificial Metalloenzymes: the Case Study of POP-Rh2 Cyclopropanase

2021 ◽  
Author(s):  
José-Emilio Sánchez-Aparicio ◽  
Giuseppe Sciortino ◽  
Eric Mates-Torres ◽  
A. Lledos ◽  
Jean-Didier Maréchal
Keyword(s):  
Molecular Modelling ◽  
Multiscale Modelling ◽  
Artificial Metalloenzymes ◽  
Metalloenzyme Design ◽  
Successes And Challenges

Molecular modelling applications in metalloenzyme design are still scarce due to a series of challenges. In top of that, the simulations of metal-mediated binding and the identification of catalytic competent...

Molecular Modeling for Artificial Metalloenzyme Design and Optimization

2020 ◽  
Vol 53 (4) ◽  
pp. 896-905 ◽  
Author(s):  
Lur Alonso-Cotchico ◽  
Jaime Rodrı́guez-Guerra ◽  
Agustí Lledós ◽  
Jean-Didier Maréchal
Keyword(s):  
Molecular Modeling ◽  
Design And Optimization ◽  
Metalloenzyme Design ◽  
Artificial Metalloenzyme

Artificial Metalloenzyme Design with Unnatural Amino Acids and Non-Native Cofactors

ACS Catalysis ◽  
2018 ◽  
Vol 8 (3) ◽  
pp. 1851-1863 ◽  
Author(s):  
Yang Yu ◽  
Cheng Hu ◽  
Lin Xia ◽  
Jiangyun Wang
Keyword(s):  
Amino Acids ◽  
Unnatural Amino Acids ◽  
Metalloenzyme Design ◽  
Artificial Metalloenzyme

αRep A3: A Versatile Artificial Scaffold for Metalloenzyme Design

2017 ◽  
Vol 23 (42) ◽  
pp. 10156-10166 ◽  
Author(s):  
Thibault Di Meo ◽  
Wadih Ghattas ◽  
Christian Herrero ◽  
Christophe Velours ◽  
Philippe Minard ◽  
...  
Keyword(s):  
Metalloenzyme Design

scholarly journals Optimizing Protein Dynamics in Metalloenzyme Design

2017 ◽  
Vol 112 (3) ◽  
pp. 193a
Author(s):  
Ronald L. Koder ◽  
Bernard Everson ◽  
Lei Zhang ◽  
Jonathan Preston ◽  
Emma Bjerkefeldt
Keyword(s):  
Protein Dynamics ◽  
Metalloenzyme Design

scholarly journals Predictive methods for computational metalloenzyme redesign – a test case with carboxypeptidase A

2016 ◽  
Vol 18 (46) ◽  
pp. 31744-31756 ◽  
Author(s):  
Crystal E. Valdez ◽  
Amanda Morgenstern ◽  
Mark E. Eberhart ◽  
Anastassia N. Alexandrova
Keyword(s):  
Test Case ◽  
Scale Problem ◽  
Carboxypeptidase A ◽  
Multi Scale ◽  
Predictive Methods ◽  
Metalloenzyme Design

Computational metalloenzyme design is a multi-scale problem.

ChemInform Abstract: Latest Developments in Metalloenzyme Design and Repurposing

ChemInform ◽  
2015 ◽  
Vol 46 (40) ◽  
pp. no-no ◽  
Author(s):  
Tillmann Heinisch ◽  
Thomas R. Ward
Keyword(s):  
Metalloenzyme Design

scholarly journals Latest Developments in Metalloenzyme Design and Repurposing

2015 ◽  
Vol 2015 (21) ◽  
pp. 3406-3418 ◽  
Author(s):  
Tillmann Heinisch ◽  
Thomas R. Ward
Keyword(s):  
Metalloenzyme Design
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