AIMC Topic: Software

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HCS-3DX, a next-generation AI-driven automated 3D-oid high-content screening system.

Nature communications
Self-organised three-dimensional (3D) cell cultures, collectively called 3D-oids, include spheroids, organoids and other co-culture models. Systematic evaluation of these models forms a critical new generation of high-content screening (HCS) systems ...

SpatPPI: a geometric deep learning model for predicting protein-protein interactions involving intrinsically disordered regions.

Genome biology
Intrinsically disordered proteins and regions (IDRs) lack stable 3D structures, posing challenges for interaction prediction. We present SpatPPI, a geometric deep learning model tailored for IDPPI prediction. SpatPPI leverages structural cues from fo...

Application and clinical utility assessment of natural language processing-based software for copy-number variants interpretation.

Journal of translational medicine
BACKGROUND: Manual interpretation of copy-number variant (CNV) according to the guideline published by the American College of Medical Genetics and Genomics (ACMG) and the Clinical Genome Resources (ClinGen) in 2020 is labor-intensive and time-consum...

GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators.

Scientific reports
Structure-based virtual screening approaches like molecular docking rely on accurately identifying and precisely calculating binding pockets to efficiently search for potential ligands. In this paper, we introduce GENEOnet, a machine learning model d...

Template Learning: Deep learning with domain randomization for particle picking in cryo-electron tomography.

Nature communications
Cryo-electron tomography (cryo-ET) enables three-dimensional visualization of biomolecules and cellular components in their near-native state. A key challenge in cryo-ET data analysis is particle picking, often performed by template matching, which r...

SARST2 high-throughput and resource-efficient protein structure alignment against massive databases.

Nature communications
The flood of protein structural Big Data is coming. With the belief that biotech researchers deserve powerful analysis engines to overcome the challenge of rapidly increasing computational demands, we are devoted to developing efficient protein struc...

TEtrimmer: a tool to automate the manual curation of transposable elements.

Nature communications
Transposable elements (TEs) are repetitive DNA sequences that move within genomes and play important roles in gene regulation and genome evolution. Accurate TE annotation in genomesĀ is crucial for downstream analyses but challenging due to their sequ...

VacQuant: a tool to quantify neurodegeneration and associated vacuolation in brain tissue.

Fly
Neurodegenerative diseases are devastating conditions characterized by progressive cognitive decline with few available treatments. Neurodegeneration can be quantified in vertebrate and invertebrate models of disease by analysis of vacuolation - the ...

Glucostats: an efficient Python library for glucose time series feature extraction and visual analysis.

BMC bioinformatics
BACKGROUND: The advancement of technology and continuous glucose monitoring (CGM) systems has introduced several computational and technical challenges for clinicians and researchers. The growing volume of CGM data necessitates the development of eff...

DIATAGeR: Triacylglycerol annotation of data-independent acquisition based lipidomics.

Analytica chimica acta
BACKGROUND: Triacylglycerols (TGs) are the most abundant lipids in the human body and the primary source of energy storage. TGs are comprised of three fatty acyls with various lengths and double bond composition, complicating structural annotation wh...