Journal of Chemical Information and Modeling | GLMCyp: A Deep Learning-Based Method for CYP450-Mediated Reaction Site Prediction
ABSTRACT: Cytochrome P450 enzymes (CYP450s) play crucial roles in metabolizing many drugs, and thus, local chemical structure can profoundly influence drug efficacy and toxici…
bioRxiv | Automatically Defining Protein Words for Diverse Functional Predictions Based on Attention Analysis of a Protein Language Model
ABSTRACT: Understanding the relationship between protein sequence and function remains a longstanding challenge in bioinformatics, and to date the lion’s share of related tool…
Nature Communications | Barcoded screening identifies nanocarriers for protein delivery to kidney
ABSTRACT: Targeted protein delivery with nanocarriers holds significant potential to enhance therapeutic outcomes by precisely directing proteins to specific organs or tissues…
Neuron | An intermediate open structure reveals the gating transition of the mechanically activated PIEZO1 channel
ABSTRACT: PIEZO1 is a mechanically activated cation channel that undergoes force-induced activation and inactivation. However, its distinct structural states remain undefined.…
Preprint | Enhancing Enzyme Activity with Mutation Combinations Guided by Few-shot Learning and Causal Inference
ABSTRACT: Designing enzyme sequences to enhance product yield represents a fundamental challenge in metabolic engineering. Here, we established a workflow that integrates comp…
Nature Methods | EvoAI enables extreme compression and reconstruction of the protein sequence space
ABSTRACT: Designing proteins with improved functions requires a deep understanding of how sequence and function are related, a vast space that is hard to explore. The ability …
Journal of Cheminformatics | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning
ABSTRACT: Predicting protein-small molecule binding sites, the initial step in structure-guided drug design, remains challenging for proteins lacking experimentally derived li…
Nature Communications | Coronavirus envelope protein activates TMED10-mediated unconventional secretion of inflammatory factors
ABSTRACT: The precise cellular mechanisms underlying heightened proinflammatory cytokine production during coronavirus infection remain incompletely understood. Here we identi…
Nature | Molecular basis of human noradrenaline transporter reuptake and inhibition
ABSTRACT: Noradrenaline, also known as norepinephrine, has a wide range of activities and effects on most brain cell types1. Its reuptake from the synaptic cleft heavily relie…
