High-resolution de novo structure prediction from primary sequence

R Wu, F Ding, R Wang, R Shen, X Zhang, S Luo, C Su… - BioRxiv, 2022 - biorxiv.org
Recent breakthroughs have used deep learning to exploit evolutionary information in
multiple sequence alignments (MSAs) to accurately predict protein structures. However …

OpenProteinSet: Training data for structural biology at scale

G Ahdritz, N Bouatta, S Kadyan… - Advances in …, 2024 - proceedings.neurips.cc
Multiple sequence alignments (MSAs) of proteins encode rich biological information and
have been workhorses in bioinformatic methods for tasks like protein design and protein …

A method for multiple-sequence-alignment-free protein structure prediction using a protein language model

X Fang, F Wang, L Liu, J He, D Lin, Y Xiang… - Nature Machine …, 2023 - nature.com
Protein structure prediction pipelines based on artificial intelligence, such as AlphaFold2,
have achieved near-experimental accuracy. These advanced pipelines mainly rely on …

Current structure predictors are not learning the physics of protein folding

C Outeiral, DA Nissley, CM Deane - Bioinformatics, 2022 - academic.oup.com
Motivation. Predicting the native state of a protein has long been considered a gateway
problem for understanding protein folding. Recent advances in structural modeling driven by …

Single-sequence protein structure prediction using a language model and deep learning

R Chowdhury, N Bouatta, S Biswas, C Floristean… - Nature …, 2022 - nature.com
AlphaFold2 and related computational systems predict protein structure using deep learning
and co-evolutionary relationships encoded in multiple sequence alignments (MSAs) …

Improving deep learning protein monomer and complex structure prediction using DeepMSA2 with huge metagenomics data

W Zheng, Q Wuyun, Y Li, C Zhang, PL Freddolino… - Nature …, 2024 - nature.com
Leveraging iterative alignment search through genomic and metagenome sequence
databases, we report the DeepMSA2 pipeline for uniform protein single-and multichain …

Helixfold-single: Msa-free protein structure prediction by using protein language model as an alternative

X Fang, F Wang, L Liu, J He, D Lin, Y Xiang… - arXiv preprint arXiv …, 2022 - arxiv.org
AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-
experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence …

Protein language-model embeddings for fast, accurate, and alignment-free protein structure prediction

K Weissenow, M Heinzinger, B Rost - Structure, 2022 - cell.com
Advanced protein structure prediction requires evolutionary information from multiple
sequence alignments (MSAs) from evolutionary couplings that are not always available …

Single-sequence protein structure prediction using supervised transformer protein language models

W Wang, Z Peng, J Yang - Nature Computational Science, 2022 - nature.com
Significant progress has been made in protein structure prediction in recent years. However,
it remains challenging for AlphaFold2 and other deep learning-based methods to predict …

[HTML][HTML] The opportunities and challenges posed by the new generation of deep learning-based protein structure predictors

M Varadi, N Bordin, C Orengo, S Velankar - Current Opinion in Structural …, 2023 - Elsevier
The function of proteins can often be inferred from their three-dimensional structures.
Experimental structural biologists spent decades studying these structures, but the …