I-TASSER-MTD: a deep-learning-based platform for multi-domain protein structure and function prediction

X Zhou, W Zheng, Y Li, R Pearce, C Zhang, EW Bell… - Nature …, 2022 - nature.com
Most proteins in cells are composed of multiple folding units (or domains) to perform
complex functions in a cooperative manner. Relative to the rapid progress in single-domain …

[HTML][HTML] AlphaFold and implications for intrinsically disordered proteins

KM Ruff, RV Pappu - Journal of molecular biology, 2021 - Elsevier
Accurate predictions of the three-dimensional structures of proteins from their amino acid
sequences have come of age. AlphaFold, a deep learning-based approach to protein …

OpenFold: Retraining AlphaFold2 yields new insights into its learning mechanisms and capacity for generalization

G Ahdritz, N Bouatta, C Floristean, S Kadyan, Q Xia… - Nature …, 2024 - nature.com
AlphaFold2 revolutionized structural biology with the ability to predict protein structures with
exceptionally high accuracy. Its implementation, however, lacks the code and data required …

Predicting multiple conformations via sequence clustering and AlphaFold2

HK Wayment-Steele, A Ojoawo, R Otten, JM Apitz… - Nature, 2024 - nature.com
Abstract AlphaFold2 (ref.) has revolutionized structural biology by accurately predicting
single structures of proteins. However, a protein's biological function often depends on …

Disease variant prediction with deep generative models of evolutionary data

J Frazer, P Notin, M Dias, A Gomez, JK Min, K Brock… - Nature, 2021 - nature.com
Quantifying the pathogenicity of protein variants in human disease-related genes would
have a marked effect on clinical decisions, yet the overwhelming majority (over 98%) of …

[HTML][HTML] Highly accurate protein structure prediction with AlphaFold

J Jumper, R Evans, A Pritzel, T Green, M Figurnov… - nature, 2021 - nature.com
Proteins are essential to life, and understanding their structure can facilitate a mechanistic
understanding of their function. Through an enormous experimental effort 1, 2, 3, 4, the …

Folding non-homologous proteins by coupling deep-learning contact maps with I-TASSER assembly simulations

W Zheng, C Zhang, Y Li, R Pearce, EW Bell… - Cell reports methods, 2021 - cell.com
Structure prediction for proteins lacking homologous templates in the Protein Data Bank
(PDB) remains a significant unsolved problem. We developed a protocol, CI-TASSER, to …

Geometric deep learning of RNA structure

RJL Townshend, S Eismann, AM Watkins, R Rangan… - Science, 2021 - science.org
RNA molecules adopt three-dimensional structures that are critical to their function and of
interest in drug discovery. Few RNA structures are known, however, and predicting them …

Prottrans: Toward understanding the language of life through self-supervised learning

A Elnaggar, M Heinzinger, C Dallago… - IEEE transactions on …, 2021 - ieeexplore.ieee.org
Computational biology and bioinformatics provide vast data gold-mines from protein
sequences, ideal for Language Models (LMs) taken from Natural Language Processing …

[HTML][HTML] Machine learning in protein structure prediction

M AlQuraishi - Current opinion in chemical biology, 2021 - Elsevier
Prediction of protein structure from sequence has been intensely studied for many decades,
owing to the problem's importance and its uniquely well-defined physical and computational …