AIMC Topic: Software

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DeepMolecules: a web server for predicting enzyme and transporter-small molecule interactions.

Nucleic acids research
DeepMolecules is an easily accessible web server for predicting protein-small molecule interactions. It integrates four state-of-the-art models: ESP and SPOT for identifying substrates of enzymes and transporters, respectively, TurNuP for predicting ...

OntoTiger: a platform of ontology-based application tools for integrative biomedical exploration.

Nucleic acids research
Biomedical ontologies, such as Gene Ontology (GO), Disease Ontology (DO), and the Human Phenotype Ontology (HPO), have been extensively applied to characterize molecular roles and their semantic relationships in biomedical research and clinical pract...

TmDet 4.0: determining membrane orientation of transmembrane proteins from 3D structure.

Nucleic acids research
During the structural determination of transmembrane proteins, one crucial piece of information is lost: the orientation of the protein within the lipid bilayer. The TmDet algorithm was developed in the early 2000s to determine the relative position ...

FoldScript: a web server for the efficient analysis of AI-generated 3D protein models.

Nucleic acids research
Artificial intelligence (AI)-based 3D protein modelling software have revolutionized structural biology, often predicting protein structures with unprecedented confidence. However, to get the most out of AI, it is advisable to consider the informatio...

spaLLM: enhancing spatial domain analysis in multi-omics data through large language model integration.

Briefings in bioinformatics
Spatial multi-omics technologies provide valuable data on gene expression from various omics in the same tissue section while preserving spatial information. However, deciphering spatial domains within spatial omics data remains challenging due to th...

GOBeacon: An ensemble model for protein function prediction enhanced by contrastive learning.

Protein science : a publication of the Protein Society
Accurate prediction of protein function is fundamental to understanding biological processes, with computational methods becoming increasingly essential as experimental methods struggle to keep pace with the rate of newly discovered proteins. Despite...

Transformation trees - Documentation of multimodal image registration.

Computers in biology and medicine
Multimodal image registration plays a key role in creating digital patient models by combining data from different imaging techniques into a single coordinate system. This process often involves multiple sequential and interconnected transformations,...

AI-powered evaluation of lung function for diagnosis of interstitial lung disease.

Thorax
BACKGROUND: The diagnosis of interstitial lung disease (ILD) can pose a challenge as the pulmonary function test (PFT) is only minimally affected at the onset. To improve early diagnosis, this study aims to explore the potential of artificial intelli...

Computational Hit Finding: An Industry Perspective.

Journal of medicinal chemistry
Computational hit finding, particularly virtual screening, has been a mainstay of drug discovery campaigns for decades, providing a cost-efficient complement to wet experiments. Innovation in this space slowed considerably as these approaches converg...

Predicting bacterial phenotypic traits through improved machine learning using high-quality, curated datasets.

Communications biology
Predicting prokaryotic phenotypes-observable traits that govern functionality, adaptability, and interactions-holds significant potential for fields such as biotechnology, environmental sciences, and evolutionary biology. In this study, we leverage m...