Machine learning-guided protein engineering

P Kouba, P Kohout, F Haddadi, A Bushuiev… - ACS …, 2023 - ACS Publications
Recent progress in engineering highly promising biocatalysts has increasingly involved
machine learning methods. These methods leverage existing experimental and simulation …

Lynch syndrome, molecular mechanisms and variant classification

AB Abildgaard, SV Nielsen, I Bernstein, A Stein… - British journal of …, 2023 - nature.com
Patients with the heritable cancer disease, Lynch syndrome, carry germline variants in the
MLH1, MSH2, MSH6 and PMS2 genes, encoding the central components of the DNA …

Proteingym: Large-scale benchmarks for protein fitness prediction and design

P Notin, A Kollasch, D Ritter… - Advances in …, 2024 - proceedings.neurips.cc
Predicting the effects of mutations in proteins is critical to many applications, from
understanding genetic disease to designing novel proteins to address our most pressing …

Revealing enzyme functional architecture via high-throughput microfluidic enzyme kinetics

CJ Markin, DA Mokhtari, F Sunden, MJ Appel, E Akiva… - Science, 2021 - science.org
INTRODUCTION Enzymes possess extraordinary catalytic proficiency and specificity. These
properties ultimately derive from interactions not just between the active-site residues and …

Proteinnpt: Improving protein property prediction and design with non-parametric transformers

P Notin, R Weitzman, D Marks… - Advances in Neural …, 2023 - proceedings.neurips.cc
Protein design holds immense potential for optimizing naturally occurring proteins, with
broad applications in drug discovery, material design, and sustainability. However …

A rugged yet easily navigable fitness landscape

A Papkou, L Garcia-Pastor, JA Escudero, A Wagner - Science, 2023 - science.org
Fitness landscape theory predicts that rugged landscapes with multiple peaks impair
Darwinian evolution, but experimental evidence is limited. In this study, we used genome …

[HTML][HTML] Proteingym: Large-scale benchmarks for protein design and fitness prediction

P Notin, AW Kollasch, D Ritter, L van Niekerk, S Paul… - bioRxiv, 2023 - ncbi.nlm.nih.gov
Predicting the effects of mutations in proteins is critical to many applications, from
understanding genetic disease to designing novel proteins that can address our most …

Understanding epistatic networks in the B1 β-lactamases through coevolutionary statistical modeling and deep mutational scanning

JZ Chen, M Bisardi, D Lee, S Cotogno… - Nature …, 2024 - nature.com
Throughout evolution, protein families undergo substantial sequence divergence while
preserving structure and function. Although most mutations are deleterious, evolution can …

Viral evolution shaped by host proteostasis networks

J Yoon, JE Patrick, CB Ogbunugafor… - Annual Review of …, 2023 - annualreviews.org
Understanding the factors that shape viral evolution is critical for developing effective
antiviral strategies, accurately predicting viral evolution, and preventing pandemics. One …

Molecular determinants of Hsp90 dependence of Src kinase revealed by deep mutational scanning

V Nguyen, E Ahler, KA Sitko, JJ Stephany… - Protein …, 2023 - Wiley Online Library
Hsp90 is a molecular chaperone involved in the refolding and activation of numerous
protein substrates referred to as clients. While the molecular determinants of Hsp90 client …