[HTML][HTML] 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 …

Protein design: From the aspect of water solubility and stability

R Qing, S Hao, E Smorodina, D Jin, A Zalevsky… - Chemical …, 2022 - ACS Publications
Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Protein structure and sequence generation with equivariant denoising diffusion probabilistic models

N Anand, T Achim - arXiv preprint arXiv:2205.15019, 2022 - arxiv.org
Proteins are macromolecules that mediate a significant fraction of the cellular processes that
underlie life. An important task in bioengineering is designing proteins with specific 3D …

[HTML][HTML] Learning the protein language: Evolution, structure, and function

T Bepler, B Berger - Cell systems, 2021 - cell.com
Language models have recently emerged as a powerful machine-learning approach for
distilling information from massive protein sequence databases. From readily available …

De novo protein design by deep network hallucination

I Anishchenko, SJ Pellock, TM Chidyausiku… - Nature, 2021 - nature.com
There has been considerable recent progress in protein structure prediction using deep
neural networks to predict inter-residue distances from amino acid sequences,–. Here we …

Unified rational protein engineering with sequence-based deep representation learning

EC Alley, G Khimulya, S Biswas, M AlQuraishi… - Nature …, 2019 - nature.com
Rational protein engineering requires a holistic understanding of protein function. Here, we
apply deep learning to unlabeled amino-acid sequences to distill the fundamental features …

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 …

[HTML][HTML] ProMod3—A versatile homology modelling toolbox

G Studer, G Tauriello, S Bienert, M Biasini… - PLoS computational …, 2021 - journals.plos.org
Computational methods for protein structure modelling are routinely used to complement
experimental structure determination, thus they help to address a broad spectrum of …

AI-based protein structure prediction in drug discovery: impacts and challenges

M Schauperl, RA Denny - Journal of Chemical Information and …, 2022 - ACS Publications
Proteins are the molecular machinery of the human body, and their malfunctioning is often
responsible for diseases, making them crucial targets for drug discovery. The three …

[HTML][HTML] Recent advances in de novo protein design: Principles, methods, and applications

X Pan, T Kortemme - Journal of Biological Chemistry, 2021 - ASBMB
The computational de novo protein design is increasingly applied to address a number of
key challenges in biomedicine and biological engineering. Successes in expanding …