AIMC Journal:
bioRxiv

Showing 1971 to 1980 of 4956 articles

Enhancing non-local interaction modeling for ab initio biomolecular calculations and simulations with ViSNet-PIMA

bioRxiv Mar 20, 2026
AI-based molecular dynamics simulation brings ab initio calculations to biomolecules in an efficient way, in which the machine learning force field (MLFF) locates at the central position by accurately predicting the molecular energies and forces. Mos...
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Coupled Solvent and Protein Dynamics Confer Differences in Exon-19 Deletion Mutants of the Epidermal Growth Factor Receptor Kinase

bioRxiv Mar 19, 2026
Deletions in Exon-19 of the epidermal growth factor receptor (EGFR) play a pivotal role in the pathogenesis of non-small cell lung cancer (NSCLC), influencing patient response to tyrosine kinase inhibitors (TKIs). Although these mutations are known t...
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A neural network with key-value episodic memory retrieves and organizes memories based on causal event structures

bioRxiv Mar 19, 2026
Humans reflect on memories to make sense of ongoing events. Past work has shown that people retrieve causally related memories during comprehension, but the mechanisms underlying this process remain unclear. Here, we used a recurrent neural network a...
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Enabling high-plex spectral imaging via DNA-barcoded signal tuning and panel optimization

bioRxiv Mar 19, 2026
High-plex spectral imaging has the potential to transform the analysis of spatial organization in cells and tissues, yet its practical implementation remains limited by challenges in panel design, sample preparation, signal balancing, and experimenta...
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ABAG-Rank: Improving Model Selection of AlphaFold Antibody-Antigen Complexes by Learning to Rank

bioRxiv Mar 19, 2026
Motivation: AlphaFold has transformed structural biology with an unprecedented accuracy in modeling protein structures and their interactions with biomolecules, with AlphaFold3 (AF3) achieving state-of-the-art performance. However, AF3 and other meth...
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Computational Fluid Particle Dynamics-Informed Machine Learning Prototype for a User-Centered Smart Inhaler Enabling Uniform Drug Delivery to Small Airways

bioRxiv Mar 19, 2026
Small airways are the primary sites of airflow obstruction in chronic obstructive pulmonary disease. Effective delivery of aerosolized drug particles to these regions is crucial to maximize treatment efficacy while minimizing side effects. However, c...
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Cross-Modal Training Using Xenium Spatial Transcriptomics Enables DINO-DETR Based Detection of Vascular Niches in H&E Whole-Slide Images

bioRxiv Mar 19, 2026
Background: Tumor vasculature is a key driver of glioma progression, yet routine quantification depends on subjective histopathologic assessment or resource-intensive ancillary immunohistochemistry. A scalable, objective method for vascular phenotypi...
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Semantic-Aware Energy-Efficient Operation inSmart Capsule Endoscopy

bioRxiv Mar 19, 2026
Goal-oriented semantic communication has recently emerged in wireless sensor-actuator networks, emphasizing the meaning and relevance of information over raw data delivery, thereby enabling resource-efficient telecommunication. This paradigm offers s...
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A Cross-Study Multi-Organ Cell Atlas ofMacaca fascicularis Informed by Human Foundation Model Annotation: A Resource for Translational Target Assessment

bioRxiv Mar 19, 2026
Non-human primates (NHPs), particularly Macaca fascicularis (cynomolgus macaque), represent an essential model for preclinical assessment of biologics due to their high genetic and physiological similarity to humans. However, mounting regulatory pres...
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Sequential narrative binding by hippocampal CA2/3 sustains lifespan episodic detail retrieval

bioRxiv Mar 19, 2026
Hippocampal subfield contributions to the structure of episodic memories across the lifespan remain incompletely understood, particularly regarding the mechanisms underlying sustained retrieval of detailed events regardless of age. Here, we show that...
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