Protein remote homology detection and structural alignment using deep learning

T Hamamsy, JT Morton, R Blackwell, D Berenberg… - Nature …, 2024 - nature.com
Exploiting sequence–structure–function relationships in biotechnology requires improved
methods for aligning proteins that have low sequence similarity to previously annotated …

Valorization of single-carbon chemicals by using carboligases as key enzymes

H Cheon, JH Kim, JS Kim, JB Park - Current Opinion in Biotechnology, 2024 - Elsevier
Highlights•C1 compounds can be converted into formaldehyde.•Formaldehyde can be
condensed into multicarbon products by C1 carboligases.•Enzyme and metabolic …

Widespread Distribution of the arsO Gene Confers Bacterial Resistance to Environmental Antimony

ST Tang, XW Song, J Chen, J Shen, B Ma… - Environmental …, 2023 - ACS Publications
Microbial oxidation of environmental antimonite (Sb (III)) to antimonate (Sb (V)) is an
antimony (Sb) detoxification mechanism. Ensifer adhaerens ST2, a bacterial isolate from a …

Sequencing-based analysis of microbiomes

Y Pinto, AS Bhatt - Nature Reviews Genetics, 2024 - nature.com
Microbiomes occupy a range of niches and, in addition to having diverse compositions, they
have varied functional roles that have an impact on agriculture, environmental sciences, and …

Insights into the inner workings of transformer models for protein function prediction

M Wenzel, E Grüner, N Strodthoff - Bioinformatics, 2024 - academic.oup.com
Motivation We explored how explainable artificial intelligence (XAI) can help to shed light
into the inner workings of neural networks for protein function prediction, by extending the …

Fast protein structure searching using structure graph embeddings

JG Greener, K Jamali - bioRxiv, 2022 - biorxiv.org
Comparing and searching protein structures independent of primary sequence has proved
useful for remote homology detection, function annotation and protein classification. With the …

Learning from the unknown: exploring the range of bacterial functionality

Y Mahlich, C Zhu, H Chung, PK Velaga… - Nucleic Acids …, 2023 - academic.oup.com
Determining the repertoire of a microbe's molecular functions is a central question in
microbial biology. Modern techniques achieve this goal by comparing microbial genetic …

TM-Vec: template modeling vectors for fast homology detection and alignment

T Hamamsy, JT Morton, D Berenberg, N Carriero… - bioRxiv, 2022 - biorxiv.org
Exploiting sequence-structure-function relationships in molecular biology and computational
modeling relies on detecting proteins with high sequence similarities. However, the most …

RCSB Protein Data Bank: visualizing groups of experimentally determined PDB structures alongside computed structure models of proteins

J Segura, Y Rose, C Bi, J Duarte, SK Burley… - Frontiers in …, 2023 - frontiersin.org
Recent advances in Artificial Intelligence and Machine Learning (eg., AlphaFold,
RosettaFold, and ESMFold) enable prediction of three-dimensional (3D) protein structures …

Navigating the landscape of enzyme design: from molecular simulations to machine learning

J Zhou, M Huang - Chemical Society Reviews, 2024 - pubs.rsc.org
Global environmental issues and sustainable development call for new technologies for fine
chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the …