AIMC Journal:
bioRxiv

Showing 491 to 500 of 4935 articles

Systematic Benchmarking of AI-Based Molecular Generation Models for Structure-Based Drug Design

bioRxiv Aug 17, 2026
Generative artificial intelligence is accelerating molecular design, yet the relative suitability of available models for different targets and stages of preclinical drug discovery remains unclear. Here we benchmarked 12 molecular generation and opti...
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From Field Photosynthesis to Genetic Architecture: Insights from the First Dedicated Photosynthesis Hackathon

bioRxiv Aug 17, 2026
Photosynthesis is among the most consequential yet genetically complex traits in crop plants, and translating its natural variation into actionable genomic targets remains a central challenge for breeding climate-resilient varieties. To start address...
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The representational geometry of cognitive maps under dynamic cognitive control

bioRxiv Aug 16, 2026
Recent work has shown that the brain abstracts non-spatial relationships between entities or task states into representations called cognitive maps. Here, we investigate how cognitive control enables flexible top-down selection of goal-relevant infor...
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Assessing Codon Language Models for Context-Aware Codon Optimization in Nucleic Acid-Based Medicines

bioRxiv Aug 16, 2026
Codon optimization uses synonymous sequence changes to improve the expression and therapeutic performance of nucleic acid-based medicines. Masked language models (MLMs) have recently been proposed as alternatives to traditional, frequency-based codon...
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Discovery of Selective Small-Molecule Ligands of SV2C by AI-Enhanced Virtual Screening and Experimental Validation

bioRxiv Aug 16, 2026
Synaptic vesicle glycoprotein 2C (SV2C) is a vesicular protein enriched in dopaminergic neurons of the basal ganglia that modulates dopamine storage and release, and its disruption is implicated in Parkinson's disease (PD). Despite strong genetic and...
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Bridging Ecological Inference and Decision Optimization for Conservation Using Artificial Intelligence

bioRxiv Aug 15, 2026
The ability to model the complex and uncertain population dynamics of endangered species has improved dramatically in recent decades. However, approaches to identify optimal decisions often require a simplified representation of population dynamics. ...
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Deep learning-based identification and quantification of rare circulating hybrid cells in orthotopic pancreatic cancer models

bioRxiv Aug 15, 2026
Significance: Rare-cell identification in fluorescence microscopy remains challenging because targets are sparse and background varies between specimens. Combining specimen-specific fluorescence enrichment with image classification may enable efficie...
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LEN-Seek: Fast and scalable ligand binding-site similarity search in the latent space of an SE(3)-invariant graph VAE

bioRxiv Aug 15, 2026
Motivation: Ligand binding-site similarity search is a crucial step in drug discovery that reduces the conformational search space for docking and other downstream tasks by comparing a target protein against experimentally identified binding sites. E...
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VTA dopamine neuron activity produces spatially organized stimulus and action value representations through conditioned reinforcement

bioRxiv Aug 15, 2026
What is the neural architecture by which dopamine (DA) determines choice? Reinforcement learning (RL) has suggested an algorithmic chain: prediction errors based on reward train predicted values for stimuli and actions, and thereby determine choice. ...
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Cross-attention and language models reveal the interpretability of functional predictions for the human olfactory receptor family

bioRxiv Aug 15, 2026
The attention mechanism offers the possibility for data-driven discovery of biological principles. However, for important protein families such as human olfactory receptors, the extent to which attention can associate with biologically meaningful key...
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