ArticleJournal of chemical theory and computation2016
Thermostability of Enzymes from Molecular Dynamics Simulations.
Article in Journal of chemical theory and computation, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
22 citing papers in PubMed.
- Structural insights into an engineered feruloyl esterase with improved MHET degrading properties.FEBS letters · 2026Article
- Evolutionary Adaptability Coupled with Computation-Driven Engineering for Thermostability Enhancement of a Deoxynivalenol-Detoxifying Fusion Enzyme.International journal of molecular sciences · 2026Article
- Thermostability Engineering in Therapeutic Antioxidant Enzymes: From Molecular Fundamentals to Oxidative Stress Applications.International journal of molecular sciences · 2026Review
- How far can you go? Extrapolating values of catalytic activity from known protein landscapes in natural and directed evolution.Chemical Society reviews · 2026Review
- Microbial enzymes for plastic degradation: a comprehensive review of current status and emerging trends.Biodegradation · 2026Review
- AbMelt: Learning antibody thermostability from molecular dynamics.Biophysical journal · 2024Article
- Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular Simulations.The journal of physical chemistry. B · 2024Article
- Insight on recently discovered PET polyester-degrading enzymes, thermostability and activity analyses.3 Biotech · 2024Review
- Molecular Dynamics Simulations of HPr Proteins from a Thermophilic and a Mesophilic Organism: A Comparative Thermal Study.International journal of molecular sciences · 2023Article
- Structure of an Alkaline Pectate Lyase and Rational Engineering with Improved Thermo-Alkaline Stability for Efficient Ramie Degumming.International journal of molecular sciences · 2022Article
- Rational Design of a Thermostable 2'-Deoxyribosyltransferase for Nelarabine Production by Prediction of Disulfide Bond Engineering Sites.International journal of molecular sciences · 2022Article
- Large-scale application of free energy perturbation calculations for antibody design.Scientific reports · 2022Article
- Rational design of a new variant of Reteplase with optimized physicochemical profile and large-scale production in Escherichia coli.World journal of microbiology & biotechnology · 2022Article
- Computational design of a cutinase for plastic biodegradation by mining molecular dynamics simulations trajectories.Computational and structural biotechnology journal · 2022Article
- Can constraint network analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase.Computational and structural biotechnology journal · 2021Article
- Structure and Dynamics of a Thermostable Alcohol Dehydrogenase from the Antarctic PsychrophileACS omega · 2020Article
- Comparative modelling studies of fruit bromelain using molecular dynamics simulation.Journal of molecular modeling · 2020Article
- A Novel High Glucose-Tolerant β-Glucosidase: Targeted Computational Approach for Metagenomic Screening.Frontiers in bioengineering and biotechnology · 2020Article
- Simulation-guided enzyme discovery: A new microbial source of cellobiose 2-epimerase.International journal of biological macromolecules · 2019Article
- Improving the solubility, activity, and stability of reteplase usingResearch in pharmaceutical sciences · 2019Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
Thermodynamic stability is a central requirement for protein function, and one goal of protein engineering is improvement of stability, particularly for applications in biotechnology. Herein, molecular dynamics simulations are used to predict in vitro thermostability of members of the bacterial ribonuclease HI (RNase H) family of endonucleases. The temperature dependence of the generalized order parameter, S, for four RNase H homologues, from psychrotrophic, mesophilic, and thermophilic organisms, is highly correlated with experimentally determined melting temperatures and with calculated free energies of folding at the midpoint temperature of the simulations. This study provides an approach for in silico mutational screens to improve thermostability of biologically and industrially relevant enzymes.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.