Protein assembly by design

J Zhu, N Avakyan, A Kakkis, AM Hoffnagle… - Chemical …, 2021 - ACS Publications
Proteins are nature's primary building blocks for the construction of sophisticated molecular
machines and dynamic materials, ranging from protein complexes such as photosystem II …

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

A Kryshtafovych, T Schwede, M Topf… - Proteins: Structure …, 2019 - Wiley Online Library
CASP (critical assessment of structure prediction) assesses the state of the art in modeling
protein structure from amino acid sequence. The most recent experiment (CASP13 held in …

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 …

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 …

Protein sequence design by conformational landscape optimization

C Norn, BIM Wicky, D Juergens, S Liu… - Proceedings of the …, 2021 - National Acad Sciences
The protein design problem is to identify an amino acid sequence that folds to a desired
structure. Given Anfinsen's thermodynamic hypothesis of folding, this can be recast as …

Deep learning in protein structural modeling and design

W Gao, SP Mahajan, J Sulam, JJ Gray - Patterns, 2020 - cell.com
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and
powerful computational resources, impacting many fields, including protein structural …

A brief history of de novo protein design: minimal, rational, and computational

DN Woolfson - Journal of Molecular Biology, 2021 - Elsevier
Protein design has come of age, but how will it mature? In the 1980s and the 1990s, the
primary motivation for de novo protein design was to test our understanding of the …

Language models generalize beyond natural proteins

R Verkuil, O Kabeli, Y Du, BIM Wicky, LF Milles… - BioRxiv, 2022 - biorxiv.org
Learning the design patterns of proteins from sequences across evolution may have
promise toward generative protein design. However it is unknown whether language …

When combinations of humans and AI are useful: A systematic review and meta-analysis

M Vaccaro, A Almaatouq, T Malone - Nature Human Behaviour, 2024 - nature.com
Inspired by the increasing use of artificial intelligence (AI) to augment humans, researchers
have studied human–AI systems involving different tasks, systems and populations. Despite …

From representation to mediation: a new agenda for conceptual modeling research in a digital world

JC Recker, R Lukyanenko… - MIS Quarterly …, 2021 - eprints.qut.edu.au
The role of information systems (IS) as representations of real-world systems is changing in
an increasingly digitalized world, suggesting that conceptual modeling is losing its …