AIMC Journal:
bioRxiv

Showing 2181 to 2190 of 4956 articles

A fast and accurate calculation method for light induced isomerization of retinal proteins in real time

bioRxiv
Retinal is a chromophore covalently bound to various photoreceptors. Its photo-induced isomerization triggers a series of structural changes named photocycle, leading to diverse biological functions. Despite tremendous advances in structural biology ...

vToxiNet: a biologically constrained deep learning framework for interpretable prediction of drug-induced hepatotoxicity

bioRxiv
Hepatotoxicity remains a leading cause of drug attrition and post-marketing withdrawal, resulting from diverse and complex toxicity mechanisms. Traditional in vitro models can only capture a limited subset of toxicity pathways, and animal studies fac...

ToxiVerse: A Public Platform for Chemical Toxicity Data Sharing and Customizable Predictive Modeling

bioRxiv
Chemical toxicity assessment is critical for drug development and environmental safety. Computational models have emerged as a promising alternative to animal testing and now play a significant role in efficiently evaluating new chemicals. To address...

ProPrep: An Interactive and Instructional Interface for Proper Protein Preparation with AMBER

bioRxiv
Millions of experimental and AI-predicted protein structures are now available, and the biosynthetic promise of bespoke proteins is increasingly within reach. The functional characterization challenge thus posed cannot be addressed by experimental te...

Decomposing response inhibition: a POMDP model

bioRxiv
Inhibition is a core cognitive control function whose competence is distributed across the population, with more extreme impairments in psychiatric conditions such as attention deficit hyperactivity disorder (ADHD). The Stop Signal Task (SST) is a wi...

Multiomic Spatial Imaging Assay (MSIA) -- A High-plex In Situ Detection Method for mRNAs, Proteins, and Protein-Protein Interactions using Manual And Semi-Automated Workflows

bioRxiv
We report Multiomics Spatial Image Analysis (MSIA), a suite of technologies that include streamlined manual and semi-automated workflows to image 100s of RNAs from fresh frozen and formalin-fixed paraffin-embedded (FFPE) samples, contextualize RNAs w...

In vitro fertilisation procedure assisted with computer vision models for organic Senegalese sole (Solea senegalensis) culture

bioRxiv
Reproductive dysfunction remains a major challenge for Senegalese sole (Solea senegalensis) aquaculture. Hormone-induced ovulation and in vitro fertilisation (IVF) are currently used to overcome the absence of natural courtship behaviours in captivit...

Interpretable AI driven materiomics to decode microenvironmental cues for stem cell immunomodulation

bioRxiv
Hydrogels that mimic the extracellular matrix can create a microenvironment with various physicochemical cues, which significantly influence stem cell fate with particular emphasis on their immunoregulatory and pro-regenerative functions. However, el...

Assessment of Generative De Novo Peptide Design Methods for G Protein-Coupled Receptors

bioRxiv
G protein-coupled receptors (GPCRs) play an ubiquitous role in the transduction of extracellular stimuli into intracellular responses and therefore represent a major target for the development of novel peptide-based therapeutics. In fact, approximate...

Crop-OCT: a Fully Integrated Imageomics Pipeline to Identify Regional and Focal Retinopathy in Murine Models

bioRxiv
Imageomics uses machine learning to accelerate our understanding of biological traits and human disease processes. Some of the earliest imageomics applications used deep learning to assess human diseases. For example, retinal fundus images were analy...