Machine learning approaches to predict drug efficacy and toxicity in oncology

BA Badwan, G Liaropoulos, E Kyrodimos, D Skaltsas… - Cell reports …, 2023 - cell.com
In recent years, there has been a surge of interest in using machine learning algorithms
(MLAs) in oncology, particularly for biomedical applications such as drug discovery, drug …

Acquisition of regulator on virulence plasmid of hypervirulent Klebsiella allows bacterial lifestyle switch in response to iron

WHW Chu, YH Tan, SY Tan, Y Chen, M Yong, DC Lye… - Mbio, 2023 - Am Soc Microbiol
Hypervirulent Klebsiella pneumoniae causes liver abscess and potentially devastating
metastatic complications. The majority of Klebsiella-induced liver abscess are caused by the …

A pocket-based 3D molecule generative model fueled by experimental electron density

L Wang, R Bai, X Shi, W Zhang, Y Cui, X Wang… - Scientific reports, 2022 - nature.com
We report for the first time the use of experimental electron density (ED) as training data for
the generation of drug-like three-dimensional molecules based on the structure of a target …

On knowing a gene: A distributional hypothesis of gene function

JJ Kwon, J Pan, G Gonzalez, WC Hahn, M Zitnik - Cell Systems, 2024 - cell.com
As words can have multiple meanings that depend on sentence context, genes can have
various functions that depend on the surrounding biological system. This pleiotropic nature …

Learning protein fitness landscapes with deep mutational scanning data from multiple sources

L Chen, Z Zhang, Z Li, R Li, R Huo, L Chen, D Wang… - Cell Systems, 2023 - cell.com
One of the key points of machine learning-assisted directed evolution (MLDE) is the
accurate learning of the fitness landscape, a conceptual mapping from sequence variants to …

[HTML][HTML] HydRA: Deep-learning models for predicting RNA-binding capacity from protein interaction association context and protein sequence

W Jin, KW Brannan, K Kapeli, SS Park, HQ Tan… - Molecular Cell, 2023 - cell.com
RNA-binding proteins (RBPs) control RNA metabolism to orchestrate gene expression and,
when dysfunctional, underlie human diseases. Proteome-wide discovery efforts predict …

Computational Prediction of Structure, Function, and Interaction of Myzus persicae (Green Peach Aphid) Salivary Effector Proteins

T Waksman, E Astin, SR Fisher… - Molecular Plant …, 2024 - Am Phytopath Society
Similar to plant pathogens, phloem-feeding insects such as aphids deliver effector proteins
inside their hosts that act to promote host susceptibility and enable feeding and infestation …

Comprehensive functional annotation of metagenomes and microbial genomes using a deep learning-based method

M Maranga, P Szczerbiak, V Bezshapkin… - Msystems, 2023 - Am Soc Microbiol
Comprehensive protein function annotation is essential for understanding microbiome-
related disease mechanisms in the host organisms. However, a large portion of human gut …

Large-scale clustering of AlphaFold2 3D models shines light on the structure and function of proteins

N Bordin, AM Lau, C Orengo - Molecular Cell, 2023 - cell.com
Two recent studies exploited ultra-fast structural aligners and deep-learning approaches to
cluster the protein structure space in the AlphaFold Database. Barrio-Hernandez et al. 1 and …

Molecular characterization of two new alternaviruses identified in members of the fungal family Nectriaceae

TP Pielhop, C Popp, S Fricke, D Knierim… - Archives of …, 2023 - Springer
Since the first report in 2009, at least ten additional viruses have been identified and
assigned to the proposed virus family Alternaviridae. Here we report two new mycoviruses …