Infectious Disease

Latest AI and machine learning research in infectious disease for healthcare professionals.

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De novo design of functionally diverse and druggable antimicrobial peptides by diffusion and multimodal deep learning

The escalating crisis of antibiotic resistance underscores the urgent need for innovative anti-infective agents, such as antimicrobial peptides (AMPs), though their discovery and optimization remain challenging. To address this, we introduce AMP-D3, a comprehensive framework that integrates AMP generation, identification, and screening into a cohesive workflow. Central to AMP-D3 is PACD, an advanc...

KIMMDY: a biomolecular reaction emulator

Molecular simulations have become indispensable in biological research. Their accuracy continues to improve, but directly modelling biochemical reactions – central to all life processes – remains computationally challenging. Here, we present a biomolecular reaction emulator that models reactions across conformational ensembles using kinetic Monte Carlo. Our method, KIMMDY, is capable of handling d...

SIMPLICITY: an agent-based, multi-scale mathematical model to study SARS-CoV-2 intra- and between-host evolution

Computational tools are frequently used to describe pathogen evolutionary dynamics either within infected hosts or at the population level. However, t...

Novel Computational Pipeline to Identify Target Sites for Broad Spectrum Antiviral Drugs

Emerging viruses pose an ongoing threat to human health. While certain viral families are common sources of outbreaks, predicting the specific virus w...

Temporal foundation model unveils ancient Hepatitis B virus evolution

Since ancient hepatitis B virus (HBV) sequencing data are scarce and incomplete, the evolutionary dynamics of HBV have long remained enigmatic. This d...

The Use of DeepQSAR Models for The Discovery of Peptides with Enhanced Antimicrobial and Antibiofilm Potential

Increasing concerns regarding prolonged antibiotic usage have spurred the search for alternative treatments. Antimicrobial peptides (AMPs), first disc...

Language models learn to represent antigenic properties of human influenza A(H3) virus

Given that influenza vaccine effectiveness depends on a good antigenic match between the vaccine and circulating viruses, it is important to assess th...

Controllable Protein Design by Prefix-Tuning Protein Language Models

The design of novel proteins with tailored functionalities, particularly in drug discovery and vaccine development, presents a transformative approach...

A Deep Learning-based Method for Drug Molecule Representation and Property Prediction

Accurately and robustly representing drug molecule features, prediction of drug-target biomacromolecule interactions, and determining drug molecule ph...

Phenotypic scoring of Canola Blackleg severity using machine learning image analysis

Canola blackleg is a fungal disease that causes significant yield loss and plant death of infected canola (Brassica napus L., Brassica rapa L., Brassi...

Unraveling the Co-Morbidity between COVID-19 and Neurodegenerative Diseases Through Multi-scale Graph Analysis: A Systematic Investigation of Biological Databases and Text Mining

The COVID-19 pandemic has generated a vast volume of research, yet much of it focuses on individual diseases, overlooking complex comorbidity relation...

PromoterAtlas: decoding regulatory sequences across Gammaproteobacteria using a transformer model

Recent advances in deep learning, particularly transformer architectures, have improved computational approaches for biological sequence analysis. Des...

CoV-UniBind: A Unified Antibody Binding Database for SARS-CoV-2

Since the emergence of SARS-CoV-2, numerous studies have investigated antibody interactions with viral variants in vitro, and several datasets have be...

WaveSeekerNet: Accurate Prediction of Influenza A Virus Subtypes and Host Source Using Attention-Based Deep Learning

Influenza A virus (IAV) poses a significant threat to animal health globally, with its ability to overcome species barriers and cause pandemics. Rapid...

TU_MyCo-Vision: A Deep Learning Tool for Detection of Cell Morphologies in Fungal Microscopic Images

Morphological switching in response to environmental stimuli is a well-known phenomenon in fungi, leading to diverse morphotypes. Microscopic observat...

Interdisciplinary Study on Drug-Induced-Phospholipidosis of Repurposing Libraries through Machine Learning and Experimental Evaluation in Different Cell Lines

Phospholipidosis is a cellular condition characterized by the excessive accumulation of phospholipids within cells, that also can be induced by medica...

Synteny-aware functional annotation of bacteriophage genomes with Phynteny

Accurate genome annotation is fundamental to decoding viral diversity and understanding bacteriophage biology; yet, the majority of bacteriophage gene...

Beyond associations: A benchmark Causal Relation Extraction Dataset (CRED) of disease-causing genes, its comparative evaluation, interpretation and application

Information on causal relationships is essential to many sciences, including biomedical science, and beneficial (e.g., causative rather than merely as...

Bacteriocin Prediction Through Cross-Validation-Based and Hypergraph-Based Feature Evaluation Approaches

Bacteriocins offer a promising solution to antibiotic resistance, possessing the ability to target a wide range of bacteria with precision. Thus, ther...

scYeast: a Biological-knowledge-guided Foundation Model on Yeast Single-Cell Transcriptomics

Pre-trained large models have emerged as a pivotal technological approach for foundational cell modeling. However, existing deep learning-based founda...

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