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 …

Predicting Natural Evolution in the RBD Region of the Spike Glycoprotein of SARS-CoV-2 by Machine Learning

Y Liu, Z He, L Jia, Y Xue, Y Du, H Tan, X Zhang, Y Ji… - Viruses, 2024 - mdpi.com
Machine learning (ML) is a key focus in predicting protein mutations and aiding directed
evolution. Research on potential virus variants is crucial for vaccine development. In this …

Advances in Zero‐Shot Prediction‐Guided Enzyme Engineering Using Machine Learning

C Liu, J Wu, Y Chen, Y Liu, Y Zheng, L Liu, J Zhao - ChemCatChem - Wiley Online Library
The advent of machine learning (ML) has significantly advanced enzyme engineering,
particularly through zero‐shot (ZS) predictors that forecast the effects of amino acid …