A guide to machine learning for biologists

JG Greener, SM Kandathil, L Moffat… - Nature reviews Molecular …, 2022 - nature.com
The expanding scale and inherent complexity of biological data have encouraged a growing
use of machine learning in biology to build informative and predictive models of the …

Bioinformatics approaches to discovering food-derived bioactive peptides: Reviews and perspectives

Z Du, J Comer, Y Li - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
Food-derived bioactive peptides (FBPs) are gaining interest due to their great potential in
agricultural byproduct valorization and high-activity peptide screening. The introduction of …

Language models enable zero-shot prediction of the effects of mutations on protein function

J Meier, R Rao, R Verkuil, J Liu… - Advances in neural …, 2021 - proceedings.neurips.cc
Modeling the effect of sequence variation on function is a fundamental problem for
understanding and designing proteins. Since evolution encodes information about function …

NetSurfP-3.0: accurate and fast prediction of protein structural features by protein language models and deep learning

MH Høie, EN Kiehl, B Petersen, M Nielsen… - Nucleic acids …, 2022 - academic.oup.com
Recent advances in machine learning and natural language processing have made it
possible to profoundly advance our ability to accurately predict protein structures and their …

MSA transformer

RM Rao, J Liu, R Verkuil, J Meier… - International …, 2021 - proceedings.mlr.press
Unsupervised protein language models trained across millions of diverse sequences learn
structure and function of proteins. Protein language models studied to date have been …

Transformer protein language models are unsupervised structure learners

R Rao, J Meier, T Sercu, S Ovchinnikov, A Rives - Biorxiv, 2020 - biorxiv.org
Unsupervised contact prediction is central to uncovering physical, structural, and functional
constraints for protein structure determination and design. For decades, the predominant …

Contrastive learning in protein language space predicts interactions between drugs and protein targets

R Singh, S Sledzieski, B Bryson… - Proceedings of the …, 2023 - National Acad Sciences
Sequence-based prediction of drug–target interactions has the potential to accelerate drug
discovery by complementing experimental screens. Such computational prediction needs to …

ScanNet: an interpretable geometric deep learning model for structure-based protein binding site prediction

J Tubiana, D Schneidman-Duhovny, HJ Wolfson - Nature Methods, 2022 - nature.com
Predicting the functional sites of a protein from its structure, such as the binding sites of small
molecules, other proteins or antibodies, sheds light on its function in vivo. Currently, two …

PredictProtein-predicting protein structure and function for 29 years

M Bernhofer, C Dallago, T Karl… - Nucleic acids …, 2021 - academic.oup.com
Abstract Since 1992 PredictProtein (https://predictprotein. org) is a one-stop online resource
for protein sequence analysis with its main site hosted at the Luxembourg Centre for …

TITAN: T-cell receptor specificity prediction with bimodal attention networks

A Weber, J Born, M Rodriguez Martínez - Bioinformatics, 2021 - academic.oup.com
Motivation The activity of the adaptive immune system is governed by T-cells and their
specific T-cell receptors (TCR), which selectively recognize foreign antigens. Recent …