Improved protein structure refinement guided by deep learning based accuracy estimation

N Hiranuma, H Park, M Baek, I Anishchenko… - Nature …, 2021 - nature.com
We develop a deep learning framework (DeepAccNet) that estimates per-residue accuracy
and residue-residue distance signed error in protein models and uses these predictions to …

GalaxyRefine2: simultaneous refinement of inaccurate local regions and overall protein structure

GR Lee, J Won, L Heo, C Seok - Nucleic acids research, 2019 - academic.oup.com
The 3D structure of a protein can be predicted from its amino acid sequence with high
accuracy for a large fraction of cases because of the availability of large quantities of …

Accurate prediction of protein structures and interactions using a three-track neural network

M Baek, F DiMaio, I Anishchenko, J Dauparas… - Science, 2021 - science.org
DeepMind presented notably accurate predictions at the recent 14th Critical Assessment of
Structure Prediction (CASP14) conference. We explored network architectures that …

Fast and effective protein model refinement using deep graph neural networks

X Jing, J Xu - Nature computational science, 2021 - nature.com
Protein model refinement is the last step applied to improve the quality of a predicted protein
model. Currently, the most successful refinement methods rely on extensive conformational …

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 …

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 …

The trRosetta server for fast and accurate protein structure prediction

Z Du, H Su, W Wang, L Ye, H Wei, Z Peng… - Nature protocols, 2021 - nature.com
The trRosetta (transform-restrained Rosetta) server is a web-based platform for fast and
accurate protein structure prediction, powered by deep learning and Rosetta. With the input …

Deep learning and protein structure modeling

M Baek, D Baker - Nature methods, 2022 - nature.com
Deep learning has transformed protein structure modeling. Here we relate AlphaFold and
RoseTTAFold to classical physically based approaches to protein structure prediction, and …

[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 …

Deep convolutional networks for quality assessment of protein folds

G Derevyanko, S Grudinin, Y Bengio… - …, 2018 - academic.oup.com
Motivation The computational prediction of a protein structure from its sequence generally
relies on a method to assess the quality of protein models. Most assessment methods rank …