Machine learning-guided protein engineering

P Kouba, P Kohout, F Haddadi, A Bushuiev… - ACS …, 2023 - ACS Publications
Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …

Utility of B-factors in protein science: interpreting rigidity, flexibility, and internal motion and engineering thermostability

Z Sun, Q Liu, G Qu, Y Feng, MT Reetz - Chemical reviews, 2019 - ACS Publications
The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …

Recent advances in simultaneous thermostability-activity improvement of industrial enzymes through structure modification

NG Nezhad, RNZR Abd Rahman, YM Normi… - International Journal of …, 2023 - Elsevier
Engineered thermostable microbial enzymes are widely employed to catalyze chemical
reactions in numerous industrial sectors. Although high thermostability is a prerequisite of …

Recent advances in the improvement of enzyme thermostability by structure modification

Z Xu, YK Cen, SP Zou, YP Xue… - Critical reviews in …, 2020 - Taylor & Francis
Thermostability is considered to be an important parameter to measure the feasibility of
enzymes for industrial applications. Generally, higher thermostability makes an enzyme …

Advancing enzyme's stability and catalytic efficiency through synergy of force-field calculations, evolutionary analysis, and machine learning

A Kunka, SM Marques, M Havlasek, M Vasina… - ACS …, 2023 - ACS Publications
Thermostability is an essential requirement for the use of enzymes in the bioindustry. Here,
we compare different protein stabilization strategies using a challenging target, a stable …

Artificial intelligence challenges for predicting the impact of mutations on protein stability

F Pucci, M Schwersensky, M Rooman - Current opinion in structural biology, 2022 - Elsevier
Stability is a key ingredient of protein fitness, and its modification through targeted mutations
has applications in various fields, such as protein engineering, drug design, and deleterious …

[HTML][HTML] FoldX as protein engineering tool: better than random based approaches?

O Buß, J Rudat, K Ochsenreither - Computational and structural …, 2018 - Elsevier
Improving protein stability is an important goal for basic research as well as for clinical and
industrial applications but no commonly accepted and widely used strategy for efficient …

Opportunities and challenges in design and optimization of protein function

D Listov, CA Goverde, BE Correia… - … Reviews Molecular Cell …, 2024 - nature.com
The field of protein design has made remarkable progress over the past decade. Historically,
the low reliability of purely structure-based design methods limited their application, but …

Thermostability engineering of industrial enzymes through structure modification

NG Nezhad, RNZRA Rahman, YM Normi… - Applied Microbiology …, 2022 - Springer
Thermostability is an essential requirement of enzymes in the industrial processes to
catalyze the reactions at high temperatures; thus, enzyme engineering through directed …

FireProtDB: database of manually curated protein stability data

J Stourac, J Dubrava, M Musil, J Horackova… - Nucleic acids …, 2021 - academic.oup.com
The majority of naturally occurring proteins have evolved to function under mild conditions
inside the living organisms. One of the critical obstacles for the use of proteins in …