ReviewFrontiers in bioengineering and biotechnology2023
Enzyme immobilization studied through molecular dynamic simulations.
Review in Frontiers in bioengineering and biotechnology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Adsorption-crosslinking immobilization of SHSL on NKA macroporous resin: Operational stability and molecular dynamics at the enzyme-resin interface.Food chemistry: X · 2026Article
- A dual-functional dendrimer-based system integrating recombinant endolysin and cinnamic acid for enhanced endolysin stability and antibacterial activity against Acinetobacter baumannii.World journal of microbiology & biotechnology · 2026Article
- Methods for the establishment of enzymatic mechanisms - from QM to ML.Chemical science · 2026Review
- Review
- Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations.The journal of physical chemistry letters · 2026Article
- Smart nanobiocatalysts for waste-to-biofuel conversion: integrating Nano-Bio interfaces and AI-driven design.Frontiers in bioengineering and biotechnology · 2026Review
- Molecular dynamics and COSMO-RS model of menthol-fatty acid deep eutectic solvents: thermodynamic, structural, and dynamics insights.Scientific reports · 2025Article
- Prospects and problems in enzyme immobilization methodology: comprehensive review.Biophysical reviews · 2025Review
- Exploring 2D Graphene-Based Nanomaterials for Biomedical Applications: A Theoretical Modeling Perspective.Small science · 2025Article
- Exploiting Silica-Binding and Silica-Forming Proteins as Versatile Tools for One-Step Enzyme Immobilization on Siliceous Materials.International journal of molecular sciences · 2025Review
- Mining versatile feruloyl esterases: phylogenetic classification, structural features, and deep learning model.Bioresources and bioprocessing · 2025Article
- Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In recent years, simulations have been used to great advantage to understand the structural and dynamic aspects of distinct enzyme immobilization strategies, as experimental techniques have limitations in establishing their impact at the molecular level. In this review, we discuss how molecular dynamic simulations have been employed to characterize the surface phenomenon in the enzyme immobilization procedure, in an attempt to decipher its impact on the enzyme features, such as activity and stability. In particular, computational studies on the immobilization of enzymes using i) nanoparticles, ii) self-assembled monolayers, iii) graphene and carbon nanotubes, and iv) other surfaces are covered. Importantly, this thorough literature survey reveals that, while simulations have been primarily performed to rationalize the molecular aspects of the immobilization event, their use to predict adequate protocols that can control its impact on the enzyme properties is, up to date, mostly missing.
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Registered trials
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