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 …

3D deep learning on medical images: a review

SP Singh, L Wang, S Gupta, H Goli, P Padmanabhan… - Sensors, 2020 - mdpi.com
The rapid advancements in machine learning, graphics processing technologies and the
availability of medical imaging data have led to a rapid increase in the use of deep learning …

Graph neural networks: foundation, frontiers and applications

L Wu, P Cui, J Pei, L Zhao, X Guo - … of the 28th ACM SIGKDD Conference …, 2022 - dl.acm.org
The field of graph neural networks (GNNs) has seen rapid and incredible strides over the
recent years. Graph neural networks, also known as deep learning on graphs, graph …

Hierarchical graph learning for protein–protein interaction

Z Gao, C Jiang, J Zhang, X Jiang, L Li, P Zhao… - Nature …, 2023 - nature.com
Abstract Protein-Protein Interactions (PPIs) are fundamental means of functions and
signalings in biological systems. The massive growth in demand and cost associated with …

Structure-based protein function prediction using graph convolutional networks

V Gligorijević, PD Renfrew, T Kosciolek… - Nature …, 2021 - nature.com
The rapid increase in the number of proteins in sequence databases and the diversity of
their functions challenge computational approaches for automated function prediction. Here …

Deep learning for molecular design—a review of the state of the art

DC Elton, Z Boukouvalas, MD Fuge… - … Systems Design & …, 2019 - pubs.rsc.org
In the space of only a few years, deep generative modeling has revolutionized how we think
of artificial creativity, yielding autonomous systems which produce original images, music …

Machine learning in enzyme engineering

S Mazurenko, Z Prokop, J Damborsky - ACS Catalysis, 2019 - ACS Publications
Enzyme engineering plays a central role in developing efficient biocatalysts for
biotechnology, biomedicine, and life sciences. Apart from classical rational design and …

Machine learning for metabolic engineering: A review

CE Lawson, JM Martí, T Radivojevic… - Metabolic …, 2021 - Elsevier
Abstract Machine learning provides researchers a unique opportunity to make metabolic
engineering more predictable. In this review, we offer an introduction to this discipline in …

Comprehensive survey of recent drug discovery using deep learning

J Kim, S Park, D Min, W Kim - International Journal of Molecular Sciences, 2021 - mdpi.com
Drug discovery based on artificial intelligence has been in the spotlight recently as it
significantly reduces the time and cost required for developing novel drugs. With the …

Machine‐Learning‐Assisted Nanozyme Design: Lessons from Materials and Engineered Enzymes

J Zhuang, AC Midgley, Y Wei, Q Liu, D Kong… - Advanced …, 2024 - Wiley Online Library
Nanozymes are nanomaterials that exhibit enzyme‐like biomimicry. In combination with
intrinsic characteristics of nanomaterials, nanozymes have broad applicability in materials …