AIMC Journal:
bioRxiv

Showing 1541 to 1550 of 4956 articles

Mechanistic Dissection of Conformational Transition of Bicyclic Peptide via Molecular Modeling and Deep Learning

bioRxiv May 14, 2026
Molecular conformations play a critical role in determining molecular properties, such as membrane permeability, binding affinity, and ultimately therapeutic efficacy. Experimental and computational approaches can characterize conformations and provi...
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MethylCurate: Tool For Dataset Curation and Epigenetic Aging Clock Evaluation

bioRxiv May 14, 2026
SummaryDNA methylation datasets from public repositories such as NCBI Gene Expression Omnibus are central to the development and evaluation of epigenetic aging clocks, yet existing resources and tools do not fully resolve the bottlenecks of dataset r...
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Smartphone Placement Recognition during Walking: Performance Determinants and Real-World Generalizability

bioRxiv May 14, 2026
The opportunity to collect movement data from smartphones for prolonged periods has opened new perspectives in the field of clinical movement analysis. However, when monitoring peoples mobility in free-living conditions, smartphone placement can infl...
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BiLSTM-Powered Bilinear Attention for Protein-Ligand Prediction

bioRxiv May 13, 2026
Rapid and accurate prediction of protein-ligand bindings is essential for drug discovery. While generative AI has driven rapid advancements in structure-based approaches, sequence-based methods remain significantly faster and more cost-effective. Her...
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Disease-guided functional gene mapping across species reveals translational correspondences beyond sequence orthology

bioRxiv May 13, 2026
Selecting the correct mouse gene to model a human disease phenotype is critical for translational research, yet sequence-based orthology can fail when genes have been lost, duplicated, or functionally rewired between species. Here we present BRIDGE (...
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Pretraining Objective Shapes Cross-Category Generalization in Affective Image Prediction: A Geometric Comparison of Vision Transformer Encoders

bioRxiv May 13, 2026
The geometry of representations learned by deep neural networks is shaped jointly by architecture and pretraining objective, yet disentangling these two factors remains difficult. Here we isolate the contribution of pretraining objective by comparing...
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An explainable machine learning consensus framework for robust estimations of environmental effects on population dynamics

bioRxiv May 13, 2026
Explainable machine learning (ML) methods are gaining increasing attention in environmental and ecological research for their ability to reveal relationships between environmental drivers and population dynamics. However, there remain questions on th...
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PREP-aring is worth it: Success of the Case Western Reserve University Postbaccalaureate Research Education Program and its Scholars

bioRxiv May 13, 2026
The Post-baccalaureate Research Education Program (PREP), established by the National Institute of General Medical Sciences (NIGMS) at the National Institutes of Health in 2000, was a research-intense, one-year training program for recent college gra...
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MechAInistic: An LLM-guided Multi-Agent System for Reasoning over Genome-Scale Constraint-Based Metabolic Models

bioRxiv May 13, 2026
Constraint-based metabolic modeling is a powerful way to study the mechanistic basis of cellular states and disease, but its effective use demands substantial computational expertise and careful coordination of multi-step analyses. We developed MechA...
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Generative machine learning unlocks the first proteome-wide image of human cells

bioRxiv May 13, 2026
The spatial organization of proteins within cells governs virtually all cellular functions. Yet, current imaging technologies can simultaneously visualize only tens of proteins, orders of magnitude below the thousands that populate a single human cel...
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