AIMC Journal:
bioRxiv

Showing 1901 to 1910 of 4956 articles

DualLoc: Full-parameter fine-tuning of cascaded dual transformers for protein subcellular localization prediction

bioRxiv Mar 30, 2026
Accurate protein subcellular localization is essential for biological function, and mislocalization is linked to numerous diseases. While current methods like DeepLoc 2.0 employ lightweight fine-tuning of protein language models (PLMs), their ability...
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Pan-Pharmacological Drug-Target Interaction Prediction with 3D-Informed Protein Encoding at Scale

bioRxiv Mar 30, 2026
Accurate prediction of drug-target binding affinity across multiple pharmacological endpoints remains challenging, as most deep learning methodologies focus on a single metric and face a trade-off between incorporating structural information and comp...
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Benchmarking and Experimental Validation of Machine Learning Strategies for Enzyme Engineering

bioRxiv Mar 30, 2026
Enzyme-directed evolution increasingly relies on computational tools to prioritize mutations, yet their practical value is difficult to assess because kinetic data are often aggregated across heterogeneous assay conditions, inflating apparent general...
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IDBSpred: An intrinsically disordered binding site predictor using machine learning and protein language model

bioRxiv Mar 30, 2026
Intrinsically disordered proteins (IDPs) mediate many cellular functions through interactions with structured protein partners, but predicting the corresponding binding sites on the structured partner remains challenging. Here, we present IDBSpred, a...
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Benchmarking single cell transcriptome matching methods for incremental growth of cell atlases

bioRxiv Mar 29, 2026
Background: The advancement of single cell technologies has driven significant progress in constructing a multiscale, pan-organ Human Reference Atlas for healthy human cells. Many multi-faceted cell atlases for different organs, species, and diseases...
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Protein Electrostatic Properties are Finetuned Through Evolution

bioRxiv Mar 29, 2026
Ionization states play crucial roles in protein functions. Yet despite decades of research, predicting protein pKa values emains a formidable challenge. Here, we present KaML-ESMs, neural networks built on the ESM protein language models and trained ...
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EthoClaw: An Integrated AI Workflow Platform for Automated Analysis in Neuroethology

bioRxiv Mar 29, 2026
Computational methods have advanced the analysis of animal behavior, yet significant challenges remain in data standardization, analytical reproducibility, and workflow integration. Existing computational solutions often demand extensive programming ...
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IFN-γ Orchestrates Coordinated Immunosuppression in Head and Neck Squamous Cell Carcinoma Through JAK-STAT-IRF8 Signaling: A Transcriptome-Wide Computational Analysis

bioRxiv Mar 29, 2026
Background: Interferon-gamma (IFN-{gamma}) is the primary effector cytokine of adaptive anti-tumor immunity, yet it paradoxically induces a potent immunosuppressive tumor microenvironment (TME). The full mechanistic scope of this paradox in head and ...
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DeepBranchAI: A Novel Cascade Workflow Enabling Accessible 3D Branching Network Segmentation

bioRxiv Mar 29, 2026
Three-dimensional branching networks exist throughout biological, natural, and man-made systems as pathways through volumetric space. Segmentation is required to correctly reconstruct the networks in whole or in part for analysis. This presents a uni...
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AI-Enforced Ultra-Large Virtual Screening Discovers Potent CD28 Binders

bioRxiv Mar 29, 2026
Targeting protein-protein interactions (PPIs) with small molecules is historically challenging due to shallow, solvent-exposed interfaces that lack classical binding pockets. Furthermore, employing traditional structure-based virtual screening (SBVS)...
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