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Loop dynamics and the evolution of enzyme activity
In the early 2000s, Tawfik presented his 'New View'on enzyme evolution, highlighting the
role of conformational plasticity in expanding the functional diversity of limited repertoires of …
role of conformational plasticity in expanding the functional diversity of limited repertoires of …
Navigating the landscape of enzyme design: from molecular simulations to machine learning
J Zhou, M Huang - Chemical Society Reviews, 2024 - pubs.rsc.org
Global environmental issues and sustainable development call for new technologies for fine
chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the …
chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the …
Reactzyme: A benchmark for enzyme-reaction prediction
Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life,
enabling diverse biological processes and adaptations. Predicting enzyme functions is …
enabling diverse biological processes and adaptations. Predicting enzyme functions is …
Perspectives on computational enzyme modeling: from mechanisms to design and drug development
Understanding enzyme mechanisms is essential for unraveling the complex molecular
machinery of life. In this review, we survey the field of computational enzymology …
machinery of life. In this review, we survey the field of computational enzymology …
Enabling high-throughput enzyme discovery and engineering with a low-cost, robot-assisted pipeline
As genomic databases expand and artificial intelligence tools advance, there is a growing
demand for efficient characterization of large numbers of proteins. To this end, here we …
demand for efficient characterization of large numbers of proteins. To this end, here we …
Ancestral Sequence Reconstruction for Designing Biocatalysts and Investigating their Functional Mechanisms
Biocatalysis has emerged as a green approach for efficient and sustainable production in
various industries. In recent decades, numerous advancements in computational and …
various industries. In recent decades, numerous advancements in computational and …
Modern computational methods for rational enzyme engineering
Biocatalysis is a thriving field of research because of the vast, environmentally friendly
impact that enzymes have on industry and biotechnology. However, in most production …
impact that enzymes have on industry and biotechnology. However, in most production …
Enzymeflow: Generating reaction-specific enzyme catalytic pockets through flow matching and co-evolutionary dynamics
Enzyme design is a critical area in biotechnology, with applications ranging from drug
development to synthetic biology. Traditional methods for enzyme function prediction or …
development to synthetic biology. Traditional methods for enzyme function prediction or …
[HTML][HTML] Archaeal lipolytic enzymes: current developments and further prospects
Lipolytic enzymes include triacylglycerol lipases (EC 3.1. 1.3) and esterases (EC 3.1. 1.1)
that catalyze the cleavage and formation of ester bonds. They are potential industrial …
that catalyze the cleavage and formation of ester bonds. They are potential industrial …
Efficient exploration of sequence space by sequence-guided protein engineering and design
The rapid growth of sequence databases over the past two decades means that protein
engineers faced with optimizing a protein for any given task will often have immediate …
engineers faced with optimizing a protein for any given task will often have immediate …