DeepFold: enhancing protein structure prediction through optimized loss functions, improved template features, and re-optimized energy function

JW Lee, JH Won, S Jeon, Y Choo, Y Yeon, JS Oh… - …, 2023 - academic.oup.com
Motivation Predicting protein structures with high accuracy is a critical challenge for the
broad community of life sciences and industry. Despite progress made by deep neural …

Interpreting forces as deep learning gradients improves quality of predicted protein structures

JE King, DR Koes - Biophysical Journal, 2024 - cell.com
Protein structure predictions from deep learning models like AlphaFold2, despite their
remarkable accuracy, are likely insufficient for direct use in downstream tasks like molecular …

Critical assessment of methods of protein structure prediction (CASP)—Round XV

A Kryshtafovych, T Schwede, M Topf… - Proteins: Structure …, 2023 - Wiley Online Library
Computing protein structure from amino acid sequence information has been a long‐
standing grand challenge. Critical assessment of structure prediction (CASP) conducts …

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 …

TopModel: template-based protein structure prediction at low sequence identity using top-down consensus and deep neural networks

D Mulnaes, N Porta, R Clemens… - Journal of chemical …, 2020 - ACS Publications
Knowledge of protein structures is essential to understand proteins' functions, evolution,
dynamics, stabilities, and interactions and for data-driven protein-or drug design. Yet …

Protein structure prediction beyond AlphaFold

GW Wei - Nature Machine Intelligence, 2019 - nature.com
Protein structure prediction beyond AlphaFold | Nature Machine Intelligence Skip to main
content Thank you for visiting nature.com. You are using a browser version with limited support …

AlphaFold 2: why it works and its implications for understanding the relationships of protein sequence, structure, and function

J Skolnick, M Gao, H Zhou, S Singh - Journal of chemical …, 2021 - ACS Publications
AlphaFold 2 (AF2) was the star of CASP14, the last biannual structure prediction experiment.
Using novel deep learning, AF2 predicted the structures of many difficult protein targets at or …

Improved protein structure prediction using predicted interresidue orientations

J Yang, I Anishchenko, H Park… - Proceedings of the …, 2020 - National Acad Sciences
The prediction of interresidue contacts and distances from coevolutionary data using deep
learning has considerably advanced protein structure prediction. Here, we build on these …

GeoPacker: A novel deep learning framework for protein side‐chain modeling

J Liu, C Zhang, L Lai - Protein Science, 2022 - Wiley Online Library
Atomic interactions play essential roles in protein folding, structure stabilization, and function
performance. Recent advances in deep learning‐based methods have achieved impressive …

Fast and accurate Ab Initio Protein structure prediction using deep learning potentials

R Pearce, Y Li, GS Omenn, Y Zhang - PLoS computational biology, 2022 - journals.plos.org
Despite the immense progress recently witnessed in protein structure prediction, the
modeling accuracy for proteins that lack sequence and/or structure homologs remains to be …