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#computational-biology News & Analysis

51 articles tagged with #computational-biology. AI-curated summaries with sentiment analysis and key takeaways from 50+ sources.

51 articles
AIBullisharXiv – CS AI · Jun 257/10
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OmegAMP: Targeted AMP Discovery via Biologically Informed Generation

OmegAMP is a deep learning framework that uses diffusion-based generation with biologically informed encoding to design antimicrobial peptides (AMPs) with unprecedented controllability and precision. In wet lab validation, 24 of 25 candidate peptides (96%) demonstrated antimicrobial activity, including against multi-drug resistant strains, potentially accelerating drug discovery for antibiotic-resistant infections.

AIBearishFortune Crypto · Jun 107/10
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AI drug discovery leaders warn U.S. health funding cuts risk falling behind global rivals

Executives from Lila Sciences and NVIDIA warn that U.S. health funding cuts could undermine American competitiveness in AI-driven drug discovery, a field poised to reshape global economic and scientific leadership. The convergence of artificial intelligence and biology represents a critical competitive arena where sustained investment determines long-term technological dominance.

AI drug discovery leaders warn U.S. health funding cuts risk falling behind global rivals
🏢 Nvidia
AIBullisharXiv – CS AI · Jun 97/10
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SurfDesign: Effective Protein Design on Molecular Surfaces

Researchers introduce SurfDesign, a novel protein design framework that conditions on molecular surface geometry rather than just backbone structure, integrating surface-based equivariant message passing with pretrained protein language models. The method significantly outperforms existing approaches on de novo binder and enzyme design benchmarks, demonstrating that manifold-aware surface representations provide a more effective foundation for functional protein design.

AIBullisharXiv – CS AI · Jun 97/10
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AMix-1: A Pathway to Test-Time Scalable Protein Foundation Model

Researchers introduce AMix-1, a 1.7-billion parameter protein foundation model that uses Bayesian Flow Networks to advance computational protein design and engineering. The model demonstrates predictable scaling laws, in-context learning capabilities, and test-time scaling algorithms that enable the design of protein variants with up to 50x improved activity, establishing a framework for lab-in-the-loop protein engineering.

AIBullisharXiv – CS AI · Jun 97/10
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Single-Cell Cross-Modal Transfer by Adversarial Fine-Tuning of Foundation Models

Researchers propose a foundation model approach using adversarial fine-tuning to translate between unpaired spatial transcriptomics and single-cell RNA sequencing data. The method addresses the scarcity of paired datasets by leveraging the abundance of individual modalities, outperforming existing multi-omics translation approaches.

AIBullishCrypto Briefing · Jun 77/10
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University of Cambridge tests world-first AI-designed vaccine against coronaviruses

The University of Cambridge is conducting the first clinical trial of an AI-designed vaccine targeting coronaviruses, representing a breakthrough in computational drug development. This advancement could accelerate pandemic preparedness by enabling rapid vaccine design against future coronavirus variants and zoonotic spillover events.

University of Cambridge tests world-first AI-designed vaccine against coronaviruses
AIBullisharXiv – CS AI · Jun 27/10
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CodeCytos: AI-assisted spatial molecular imaging analysis via code-augmented agent action space

CodeCytos is an AI-powered agent framework that automates spatial molecular imaging analysis through code-driven reasoning, enabling researchers to dynamically explore custom cellular features without manual intervention. The system demonstrates that large language models with strong coding capabilities can effectively analyze complex tissue imaging data when guided by minimal prompts and domain-agnostic few-shot examples, outperforming conventional analysis tools.

AINeutralarXiv – CS AI · May 297/10
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BioArc: Discovering Optimal Neural Architectures for Biological Foundation Models

BioArc introduces a neural architecture search framework that systematically discovers optimal model architectures for biological foundation models, moving beyond generic adaptation of NLP and computer vision models. The research identifies design principles and proposes methods to predict architectures for new biological tasks, providing foundational methodology for next-generation biology-focused AI systems.

AIBullisharXiv – CS AI · May 277/10
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Co-folding model guided by structural proteomics

Researchers introduce AIMS-Fold, a guided-diffusion framework that integrates structural proteomics data (XL-MS and HDX-MS measurements) with protein structure prediction models to improve accuracy in predicting protein complex conformations. The approach outperforms unguided computational models on challenging induced proximity drug targets, advancing structure-based drug design capabilities.

AIBullisharXiv – CS AI · May 127/10
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Yeti: A compact protein structure tokenizer for reconstruction and multi-modal generation

Researchers introduce Yeti, a compact protein structure tokenizer that converts protein structures into discrete tokens for multimodal AI models. The approach achieves superior codebook utilization and token diversity while maintaining competitive reconstruction accuracy with 10x fewer parameters than existing solutions, enabling efficient joint generation of protein sequences and structures.

AIBullishGoogle DeepMind Blog · Nov 257/102
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AlphaFold: Five years of impact

AlphaFold has significantly accelerated scientific research and biological discovery over the past five years. The AI system has enabled breakthroughs in protein structure prediction, fueling innovation across the global scientific community.

AIBullishNVIDIA AI Blog · Feb 197/102
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Massive Foundation Model for Biomolecular Sciences Now Available via NVIDIA BioNeMo

NVIDIA has made Evo 2, the largest publicly available AI foundation model for genomic data, accessible through its BioNeMo platform. The model was developed in collaboration with Arc Institute and can understand genetic code across all domains of life, built on NVIDIA's DGX Cloud platform.

Massive Foundation Model for Biomolecular Sciences Now Available via NVIDIA BioNeMo
AINeutralarXiv – CS AI · Jun 236/10
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Chem2Gen-Bench: Benchmarking Chemical-to-Genetic Translation in Perturbation Response Space

Researchers introduce Chem2Gen-Bench, a comprehensive benchmark dataset containing over 1.3 million chemical and genetic perturbation profiles designed to evaluate how accurately computational models can translate chemical perturbations into genetic responses. The study reveals that while translation between these perturbation types is measurable, it remains heterogeneous across different cellular contexts, and current foundation-model embeddings don't consistently outperform simpler baseline approaches.

AIBullisharXiv – CS AI · Jun 236/10
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Contrastive and Adaptive Multi-modal Masked Autoencoder for Spatial Transcriptomics

Researchers propose CAMMST, a Masked Autoencoder framework that predicts gene expression from histology images by leveraging small amounts of spatial transcriptomics data as genetic anchors. The method combines visual and genetic modalities through contrastive learning, achieving superior performance with minimal transcriptomic coverage and addressing the cost limitations of spatial transcriptomics profiling.

AINeutralarXiv – CS AI · Jun 196/10
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Protein Representation Learning with Secondary-Structure and Energy-Filtered Hydrogen-Bond Graphs

Researchers introduce SSProNet, a graph neural network that improves protein representation learning by incorporating secondary structure information and energy-filtered hydrogen-bond interactions. The approach demonstrates consistent improvements over existing graph-based methods while offering enhanced biological interpretability aligned with established structural motifs.

AIBullisharXiv – CS AI · Jun 116/10
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OmniBioTwin: A System-of-Twinned-Systems Framework for Health Digital Twins

Researchers introduce OmniBioTwin, a modular framework for health digital twins that integrates multiple biological scales through a seven-layer architecture. The system demonstrates how molecular, cellular, and organ-level computational models can be coupled together, using GLP-1 signaling pathways in Alzheimer's disease as a proof-of-concept application.

AINeutralarXiv – CS AI · Jun 116/10
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FreeBridge: Variational Schr\"odinger Bridges for Cellular Transition Dynamics

FreeBridge, a new computational method based on Schrödinger Bridges, addresses a fundamental challenge in cellular biology by inferring continuous cell transition pathways from static snapshots. The approach constrains predicted intermediate cell states to geometrically valid regions observed in real data, improving both accuracy and biological interpretability in perturbation modeling across multiple imaging datasets.

AINeutralarXiv – CS AI · Jun 96/10
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Knowledge Graphs and Reasoning LLMs for Finding Simple Yet Effective Transcriptomic Perturbation Predictors

Researchers demonstrate that simple K-nearest neighbor models leveraging biological knowledge graphs achieve competitive performance in predicting gene knockout effects on transcriptomic expression, with reinforcement learning-optimized LLMs further improving results to match state-of-the-art methods. This work suggests knowledge graphs serve as effective model priors for complex biological prediction tasks.

AINeutralarXiv – CS AI · Jun 95/10
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The Montparnasse Algorithm for RNA Design

Researchers have developed Montparnasse, a Monte Carlo-based algorithm that significantly improves RNA sequence design for synthetic biology and medicine. The framework outperforms existing state-of-the-art methods like DesiRNA by solving benchmark tests three times faster while generating RNA sequences with superior structural properties.

AINeutralarXiv – CS AI · Jun 96/10
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Knowledge-Inclusive Adaptive Physics-Informed Neural Network for Microbial Interaction Modelling

Researchers propose a Physics-Informed Neural Network (PINN) framework that incorporates multiple knowledge sources—including peer-reviewed literature and network structures—to improve microbial community modeling beyond traditional equation-based approaches. The framework, applied to generalized Lotka-Volterra modeling, demonstrates significant performance improvements of up to 53% over existing methods, with additional gains of up to 23-47% when knowledge is integrated.

AINeutralarXiv – CS AI · Jun 96/10
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Pharmacogenomic Knowledge Graph Augmentation for Graph Neural Network-Based Drug-Drug Interaction Prediction

Researchers demonstrate that augmenting graph neural networks with pharmacogenomic data from the PharmGKB database significantly improves drug-drug interaction predictions, particularly for CYP-mediated interactions. While knowledge graph augmentation shows substantial gains in DDI classification tasks, the approach reveals fundamental limitations in generalization to unseen drugs, suggesting that molecular structure alone constrains model performance.

AINeutralarXiv – CS AI · Jun 96/10
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EssentialGIN: a new approach for gene essentiality prediction based on graph isomorphism neural networks

Researchers have developed EssentialGIN, a graph isomorphism neural network approach for predicting essential genes by embedding proteins within protein-protein interaction networks while integrating biological data like gene expression and subcellular localization. The method significantly outperforms traditional centrality measures and other machine learning approaches, particularly for complex organisms like humans.

AINeutralarXiv – CS AI · Jun 96/10
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Instrumented data for causal scientific machine learning

Researchers propose 'instrumented data' as a new paradigm for scientific machine learning, where each data point carries its mechanistic model, uncertainty estimates, and executable counterfactuals. This approach bridges observational data and synthetic data by creating sensor-backed simulations with explicit parameters and causal intervention capabilities, with applications across computational biology, climate modeling, materials science, and medical imaging.

AINeutralarXiv – CS AI · Jun 96/10
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SNR-ST-Mix: Sample-specific Neighborhood Regression Mixup for Augmented Spatial Transcriptomics Imputation with Deep Neural Network

Researchers introduce SNR-ST-Mix, a data augmentation framework designed specifically for spatial transcriptomics that uses geometry-aware and expression-aware mixing to improve deep neural network performance. The method constrains data interpolation to k-nearest spatial neighbors and weights coefficients by expression similarity, enabling more biologically plausible synthetic training samples that enhance prediction accuracy without architectural changes.

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