6 papers · ranked by Valyu relevance
William JF Rieger, Sebastian Häussermann, Luca Herrmann, Zecheng Li + 8 more
Enzymes frequently exhibit promiscuous activity beyond their native roles, providing starting-points for new functions. Finding these promiscuous enzymes, especially for non-native chemical transformations, is challenging but highly valuable, as they promise novel, sustainable solutions for chemistry and biotechnology.…
Linsui Deng, Kejun He, Xianyang Zhang
Mendelian randomization (MR) has been widely used to infer causal relationships between exposures and outcomes in epidemiological studies. However, classical MR assumptions can be violated when genetic variants are associated with outcomes through pathways other than the exposure, leading to uncorrelated and/or…
Jackie Rao, Muntadher Jihad, Giulia Biffi, Paul D.W. Kirk
Identifying cell types from single-cell RNA sequencing (scRNA-seq) data typically requires several separate and often uninterpretable steps: dimensionality reduction, batch-correction, clustering, marker-gene identification and the discovery of finer-grained structure. Here we introduce scFLAME (single-cell Factor…
Yuqiao Liu, Siyu Yi, Hengchuang Yin, Wei Ju
Single-cell RNA sequencing profiles cellular heterogeneity at atlas scale, making automated annotation essential. However, target datasets often contain novel cell types missing from incomplete references. We present scOLAR, an ontology-guided open-set framework that learns prototypes over the Cell Ontology and uses…
Ha Young Kim, Hyui Jeong Han, Dongsup Kim
Recent advances in biomolecular structure prediction, exemplified by AlphaFold3, have opened new opportunities for the prediction of TCR-pMHC binding specificity. Although individual AlphaFold3 confidence metrics provide informative binding signals, their predictive performance varies across datasets, highlighting the…
Alp Tartici, Mihajlo Stojkovic, Anru Tian, Michael C. Jewett + 2 more
Protein engineering has important implications in the bioeconomy, enabling applications in materials, medicine, and energy. A key challenge is designing protein sequences that have a specific form and function. Protein inverse folding seeks to address this challenge by identifying amino acid sequences compatible with a…