QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase-Reference-Cited by-同舟云学术

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QM/MM Simulations of Enzymatic Hydrolysis of Cellulose: Probing the Viability of an Endocyclic Mechanism for an Inverting Cellulase

Published:2021-03-24 Issue:4 Volume:61 Page:1902-1912
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Pereira Caroline S.¹,Silveira Rodrigo L.¹²,Skaf Munir S.¹^ORCID

Affiliation:

1. Institute of Chemistry and Center for Computing in Engineering and Sciences, University of Campinas—Unicamp, Campinas 13084-862, Sao Paulo, Brazil

2. Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro 21941-909, Rio de Janeiro, Brazil

Funder

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01380

Reference77 articles.

1. Deconstruction of Lignocellulosic Biomass to Fuels and Chemicals

2. A classification of glycosyl hydrolases based on amino acid sequence similarities

3. Fungal Cellulases

4. Unusual Enzymatic Glycoside Cleavage Mechanisms

5. Structures and mechanisms of glycosyl hydrolases

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1. Molecular Mechanism of Double-Displacement Retaining β-Kdo Glycosyltransferase WbbB;The Journal of Physical Chemistry B;2024-07-25

2. DES-ultrasonication treatment of cellulose nanocrystals and the reinforcement in carrageenan biocomposite;International Journal of Biological Macromolecules;2024-06

3. Hollow reversible kapok fibrous membranes with amphiphilicity, natural antibacterial properties, and biodegradability;Industrial Crops and Products;2023-11

4. Catalytic Reaction Mechanism of Bacterial GH92 α‐1,2‐Mannosidase: A QM/MM Metadynamics Study;ChemPhysChem;2023-10-20

5. Technological road map of Cellulase: A comprehensive outlook to structural, computational, and industrial applications;Biochemical Engineering Journal;2023-09

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