The power and pitfalls of AlphaFold2 for structure prediction beyond rigid globular proteins

V Agarwal, AC McShan - Nature Chemical Biology, 2024 - nature.com
Artificial intelligence-driven advances in protein structure prediction in recent years have
raised the question: has the protein structure-prediction problem been solved? Here, with a …

Easy and accurate protein structure prediction using ColabFold

G Kim, S Lee, E Levy Karin, H Kim, Y Moriwaki… - Nature …, 2024 - nature.com
Since its public release in 2021, AlphaFold2 (AF2) has made investigating biological
questions, by using predicted protein structures of single monomers or full complexes, a …

Hallucinating symmetric protein assemblies

BIM Wicky, LF Milles, A Courbet, RJ Ragotte… - Science, 2022 - science.org
Deep learning generative approaches provide an opportunity to broadly explore protein
structure space beyond the sequences and structures of natural proteins. Here, we use deep …

The impact of AlphaFold2 one year on

DT Jones, JM Thornton - Nature methods, 2022 - nature.com
The greatly improved prediction of protein 3D structure from sequence achieved by the
second version of AlphaFold in 2020 has already had a huge impact on biological research …

How good are AlphaFold models for docking-based virtual screening?

V Scardino, JI Di Filippo, CN Cavasotto - Iscience, 2023 - cell.com
A crucial component in structure-based drug discovery is the availability of high-quality three-
dimensional structures of the protein target. Whenever experimental structures were not …

Loop dynamics and the evolution of enzyme activity

M Corbella, GP Pinto, SCL Kamerlin - Nature Reviews Chemistry, 2023 - nature.com
In the early 2000s, Tawfik presented his 'New View'on enzyme evolution, highlighting the
role of conformational plasticity in expanding the functional diversity of limited repertoires of …

Masked inverse folding with sequence transfer for protein representation learning

KK Yang, N Zanichelli, H Yeh - Protein Engineering, Design and …, 2023 - academic.oup.com
Self-supervised pretraining on protein sequences has led to state-of-the art performance on
protein function and fitness prediction. However, sequence-only methods ignore the rich …

De novo protein design by inversion of the AlphaFold structure prediction network

CA Goverde, B Wolf, H Khakzad, S Rosset… - Protein …, 2023 - Wiley Online Library
De novo protein design enhances our understanding of the principles that govern protein
folding and interactions, and has the potential to revolutionize biotechnology through the …

AlphaDesign: A de novo protein design framework based on AlphaFold

M Jendrusch, JO Korbel, SK Sadiq - Biorxiv, 2021 - biorxiv.org
De novo protein design is a longstanding fundamental goal of synthetic biology, but has
been hindered by the difficulty in reliable prediction of accurate high-resolution protein …

AlphaFold2 and deep learning for elucidating enzyme conformational flexibility and its application for design

G Casadevall, C Duran, S Osuna - JACS Au, 2023 - ACS Publications
The recent success of AlphaFold2 (AF2) and other deep learning (DL) tools in accurately
predicting the folded three-dimensional (3D) structure of proteins and enzymes has …