Diffusion models: A comprehensive survey of methods and applications

L Yang, Z Zhang, Y Song, S Hong, R Xu, Y Zhao… - ACM Computing …, 2023 - dl.acm.org
Diffusion models have emerged as a powerful new family of deep generative models with
record-breaking performance in many applications, including image synthesis, video …

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 …

The STRING database in 2023: protein–protein association networks and functional enrichment analyses for any sequenced genome of interest

D Szklarczyk, R Kirsch, M Koutrouli… - Nucleic acids …, 2023 - academic.oup.com
Much of the complexity within cells arises from functional and regulatory interactions among
proteins. The core of these interactions is increasingly known, but novel interactions …

De novo design of protein structure and function with RFdiffusion

JL Watson, D Juergens, NR Bennett, BL Trippe, J Yim… - Nature, 2023 - nature.com
There has been considerable recent progress in designing new proteins using deep-
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …

Accurate structure prediction of biomolecular interactions with AlphaFold 3

J Abramson, J Adler, J Dunger, R Evans, T Green… - Nature, 2024 - nature.com
The introduction of AlphaFold 21 has spurred a revolution in modelling the structure of
proteins and their interactions, enabling a huge range of applications in protein modelling …

RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …

SK Burley, C Bhikadiya, C Bi, S Bittrich… - Nucleic acids …, 2023 - academic.oup.com
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …

An atlas of substrate specificities for the human serine/threonine kinome

JL Johnson, TM Yaron, EM Huntsman, A Kerelsky… - Nature, 2023 - nature.com
Protein phosphorylation is one of the most widespread post-translational modifications in
biology,. With advances in mass-spectrometry-based phosphoproteomics, 90,000 sites of …

Illuminating protein space with a programmable generative model

JB Ingraham, M Baranov, Z Costello, KW Barber… - Nature, 2023 - nature.com
Three billion years of evolution has produced a tremendous diversity of protein molecules,
but the full potential of proteins is likely to be much greater. Accessing this potential has …

CB-Dock2: Improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting

Y Liu, X Yang, J Gan, S Chen, ZX Xiao… - Nucleic acids …, 2022 - academic.oup.com
Protein-ligand blind docking is a powerful method for exploring the binding sites of receptors
and the corresponding binding poses of ligands. It has seen wide applications in …

DALI shines a light on remote homologs: One hundred discoveries

L Holm, A Laiho, P Törönen, M Salgado - Protein Science, 2023 - Wiley Online Library
Structural comparison reveals remote homology that often fails to be detected by sequence
comparison. The DALI web server (http://ekhidna2. biocenter. helsinki. fi/dali) is a platform …