Perspective on the current state-of-the-art of quantum computing for drug discovery applications
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum
computing is a fast evolving technology that promises to completely shift the computational …
computing is a fast evolving technology that promises to completely shift the computational …
The quantum chemical cluster approach in biocatalysis
Conspectus The quantum chemical cluster approach has been used for modeling enzyme
active sites and reaction mechanisms for more than two decades. In this methodology, a …
active sites and reaction mechanisms for more than two decades. In this methodology, a …
Role of distal sites in enzyme engineering
J Gu, Y Xu, Y Nie - Biotechnology Advances, 2023 - Elsevier
The limitations associated with natural enzyme catalysis have triggered the rise of the field of
protein engineering. Traditional rational design was based on the analysis of protein …
protein engineering. Traditional rational design was based on the analysis of protein …
Molecular insights into the regioselectivity of the fe (ii)/2-ketoglutarate-dependent dioxygenase-catalyzed c–h hydroxylation of amino acids
L Wu, J An, X Jing, CC Chen, L Dai, Y Xu, W Liu… - ACS …, 2022 - ACS Publications
l-Isoleucine dioxygenase (IDO) directly catalyzes the C–H bond hydroxylation of several
hydrophobic aliphatic amino acids. However, the ambiguous selectivity of IDO prevents its …
hydrophobic aliphatic amino acids. However, the ambiguous selectivity of IDO prevents its …
Application of molecular dynamics simulation in the field of food enzymes: Improving the thermal-stability and catalytic ability
Z Huang, D Ni, Z Chen, Y Zhu, W Zhang… - Critical Reviews in Food …, 2023 - Taylor & Francis
Enzymes can produce high-quality food with low pollution, high function, high acceptability,
and medical aid. However, most enzymes, in their native form, do not meet the industrial …
and medical aid. However, most enzymes, in their native form, do not meet the industrial …
Stereoselective promiscuous reactions catalyzed by lipases
A Patti, C Sanfilippo - International Journal of Molecular Sciences, 2022 - mdpi.com
The ability of lipases to display activity beyond their physiological reactions, so-called
“catalytic promiscuity”, has gained increasing interest in the last two decades as an …
“catalytic promiscuity”, has gained increasing interest in the last two decades as an …
A novel hybrid biocatalyst from immobilized Eversa® Transform 2.0 lipase and its application in biolubricant synthesis
I Germano de Sousa, A Valério Chaves… - Biocatalysis and …, 2024 - Taylor & Francis
In this study, a Taguchi experimental design was used for optimzing the immobilization of
the lipase Eversa® Transform 2.0 (EVS) onto a hybrid support consisting of chitosan (CHI) …
the lipase Eversa® Transform 2.0 (EVS) onto a hybrid support consisting of chitosan (CHI) …
Understanding the effectiveness of enzyme pre-reaction state by a quantum-based machine learning model
Prediction of enzymatic stereochemistry is a significant challenge in computational chemistry
because of targeting very small energy gaps in highly complicated macromolecular systems …
because of targeting very small energy gaps in highly complicated macromolecular systems …
Review of glucose oxidase as a feed additive: Production, engineering, applications, growth-promoting mechanisms, and outlook
Z Liang, Y Yan, W Zhang, H Luo, B Yao… - Critical Reviews in …, 2023 - Taylor & Francis
The regulation and prohibition of antibiotics used as growth promoters (AGP) in the feed
field are increasing because they cause antimicrobial resistance and drug residue issues …
field are increasing because they cause antimicrobial resistance and drug residue issues …
β-Galactosidase: a traditional enzyme given multiple roles through protein engineering
P Liu, Y Chen, C Ma, J Ouyang… - Critical Reviews in Food …, 2023 - Taylor & Francis
Abstract β-Galactosidases are crucial carbohydrate-active enzymes that naturally catalyze
the hydrolysis of galactoside bonds in oligo-and disaccharides. These enzymes are …
the hydrolysis of galactoside bonds in oligo-and disaccharides. These enzymes are …