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] Limitations and challenges in protein stability prediction upon genome variations: towards future applications in precision medicine

T Sanavia, G Birolo, L Montanucci, P Turina… - Computational and …, 2020 - Elsevier
Protein stability predictions are becoming essential in medicine to develop novel
immunotherapeutic agents and for drug discovery. Despite the large number of …

Computational design of enzymes for biotechnological applications

J Planas-Iglesias, SM Marques, GP Pinto, M Musil… - Biotechnology …, 2021 - Elsevier
Enzymes are the natural catalysts that execute biochemical reactions upholding life. Their
natural effectiveness has been fine-tuned as a result of millions of years of natural evolution …

Computational design of stable and soluble biocatalysts

M Musil, H Konegger, J Hon, D Bednar… - Acs Catalysis, 2018 - ACS Publications
Natural enzymes are delicate biomolecules possessing only marginal thermodynamic
stability. Poorly stable, misfolded, and aggregated proteins lead to huge economic losses in …

FireProt 2.0: web-based platform for the fully automated design of thermostable proteins

M Musil, A Jezik, J Horackova, S Borko… - Briefings in …, 2024 - academic.oup.com
Thermostable proteins find their use in numerous biomedical and biotechnological
applications. However, the computational design of stable proteins often results in single …

[HTML][HTML] iStable 2.0: Predicting protein thermal stability changes by integrating various characteristic modules

CW Chen, MH Lin, CC Liao, HP Chang… - Computational and …, 2020 - Elsevier
Protein mutations can lead to structural changes that affect protein function and result in
disease occurrence. In protein engineering, drug design or and optimization industries …

Finding the ΔΔG spot: Are predictors of binding affinity changes upon mutations in protein–protein interactions ready for it?

C Geng, LC Xue, J Roel‐Touris… - Wiley Interdisciplinary …, 2019 - Wiley Online Library
Predicting the structure and thermodynamics of protein–protein interactions (PPIs) are key to
a proper understanding and modulation of their function. Since experimental methods might …

BayeStab: Predicting effects of mutations on protein stability with uncertainty quantification

S Wang, H Tang, Y Zhao, L Zuo - Protein Science, 2022 - Wiley Online Library
Predicting protein thermostability change upon mutation is crucial for understanding
diseases and designing therapeutics. However, accurately estimating Gibbs free energy …

Evaluating protein engineering thermostability prediction tools using an independently generated dataset

P Huang, SKS Chu, HN Frizzo, MP Connolly… - ACS …, 2020 - ACS Publications
Engineering proteins to enhance thermal stability is a widely utilized approach for creating
industrially relevant biocatalysts. The development of new experimental datasets and …

Computational approaches for predicting variant impact: An overview from resources, principles to applications

Y Liu, WSB Yeung, PCN Chiu, D Cao - Frontiers in genetics, 2022 - frontiersin.org
One objective of human genetics is to unveil the variants that contribute to human diseases.
With the rapid development and wide use of next-generation sequencing (NGS), massive …