newsNature Machine IntelligenceTrust 88 · LabPublished 1mo agoLive · 1mo ago
Data-driven surrogates of rational design enable antimicrobial peptide optimization
Nature Machine Intelligence, Published online: 25 June 2026; doi:10.1038/s42256-026-01258-0 Rising pathogen drug resistance makes next-generation antimicrobial peptides a global priority. Generative AI accelerates discovery by rapidly proposing new peptides with high therapeutic potential. The key question is no longer whether broad data-driven exploration is possible, but whether it can refine biologically complex activity s
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- LinkedLinked via unknownBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark →
- PossiblePossibly related (embedding) · 54%NVIDIA-BioNeMo/bionemo-recipes →
- PossiblePossibly related (embedding) · 47%URSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis Assessment →
- PossiblePossibly related (embedding) · 55%AspirinCode/awesome-AI4MolConformation-MD →
- PossiblePossibly related (embedding) · 53%Screening of Biosecurity Features in Metagenomic Data with Evo 2 Probes →
- PossiblePossibly related (embedding) · 53%BioSecBench-Surveillance: A Verifiable Benchmark for AI Agents in Pathogen Genomic Surveillance →
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paperBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) BenchmarkpaperSynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore ProfilesrepoNVIDIA-BioNeMo/bionemo-recipespaperURSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis AssessmentrepoAspirinCode/awesome-AI4MolConformation-MDpaperScreening of Biosecurity Features in Metagenomic Data with Evo 2 ProbespaperBioSecBench-Surveillance: A Verifiable Benchmark for AI Agents in Pathogen Genomic Surveillance
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paperSynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore ProfilespaperBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) BenchmarkpaperScreening of Biosecurity Features in Metagenomic Data with Evo 2 ProbesrepoAspirinCode/awesome-AI4MolConformation-MDpaperBioSecBench-Surveillance: A Verifiable Benchmark for AI Agents in Pathogen Genomic SurveillancepaperURSA: Chemistry-Aware Benchmark for Utilitarian Retrosynthesis AssessmentrepoNVIDIA-BioNeMo/bionemo-recipes
