Molecular & Cell Biology · Life Sciences
Biomolecules
The newest papers in Biomolecules that ReadSearch has read, newest first. Each links to its own page, with its authors, date, where it was published and the original.
68 papers, from 31 August 2026 to 5 November 2026: 65 arXiv preprints and 3 OpenAlex records.
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Newest papers, page 2
mdRNAcat: A Molecular Dynamics RNA Catalog of REST2 Conformational Ensembles
Learning molecular models of RNA requires simulation data that capture conformational variability and provide consistent physical training signals.MechGate: combining mechanism-derived measures of permeation and efflux to screen small molecule drugs targeting Escherichia coli
Most antibiotic molecules must cross the cell membrane and escape efflux pumps before hitting their targets.What Transfers Across Protein Pockets? Experience Reuse in Molecular Optimization for Agentic Structure-Based Drug Design
LLM agents optimize a ligand in a protein pocket by editing it step by step and docking each edit.Computational De Novo Design of Miniprotein Candidate Neutralizers Targeting the IL-23 Cytokine Subunit p19
Interleukin-23 (IL-23) drives T-helper-17 inflammation underlying inflammatory bowel disease and psoriasis; anti-p19 antibodies are clinically effective but large, costly, and injectable.Agent-guided epitope excision enables economical de novo binder design
De novo protein design campaigns remain bottlenecked by the inference compute time required to generate and rank candidates, limiting wider functional exploration.Supercoiling Drives DNA-Protein Co-Condensation
The co-condensation of DNA and proteins plays an important role in genome compaction, including heterochromatin formation and chromosome segregation.RiboBridge: protein-conditioned de novo RNA binder structure design
Designing RNA molecules that bind to target protein structures requires generating both an RNA conformation and its bound complex geometry, without assuming a predefined binding site.QUBO-Based Conformer Selection with Quantum-Classical Hybrid Optimization for Multiconformer Ligand Modeling
A ligand can adopt multiple conformations within the same binding site, and these conformations can interact differently with the surrounding protein.Unlocking the Full Potential of Taylor Dispersion Analysis Through Advanced Detection
Today, pharmaceutical sciences rely on a wide range of innovative therapeutics of varying sizes: nanoparticles, proteins, antibodies, and nanocarriers for drug delivery.AI Mindmeld: A Latent Interconnect Protocol
LLMs can act as scientific agents using tools to consult specialists and run experiments.Escaping the Phylogenetic Trap: Persistent Homology Enables Cross-Species Ion Channel Classification via Multimodal Graph Neural Networks
Protein classifiers are highly sensitive to evaluation protocol: random train/test splits induce phylogenetic leakage, allowing models to exploit taxon-specific correlations and substantially…ProteinGeoBench: Frontier Structural-Biology Agents Are Fluent at Lookup but Lost in Geometry
Frontier agents retrieve structural metadata well and compute geometry from coordinates less reliably.Magnolia: A Persistent-Memory Agent Framework for Computational Chemistry
Chemistry has recently entered a high-data regime as molecular databases from high-throughput platforms or computational studies have become available.Aptamers as a sandbox for lab-in-the-loop agentic molecular discovery
Despite breakthroughs in AI-driven molecular generation, existing discovery pipelines operate largely in silico, with wet-lab feedback reserved for validation rather than iterative improvement.Multiscale Quantum-Classical Simulation of Protein Autoproteolysis in a Million-Atom Membrane Environment
Predicting chemical reactions in biomolecules is challenging because reactive centers are embedded within complex environments that strongly influence their energetics and mechanisms.MORAD: Reinforcement Learning with Multi-Objective Rewards for RNA Inverse Design
We introduce MORAD, an online reinforcement learning framework for backbone-conditioned RNA diffusion models that trains a single shared policy across diverse target backbones.Designing Protein Structures from Natural Language
A central challenge in de novo protein design is generating proteins with desired structural and functional properties.La-Ribo: RNA Co-Design via Geometry-Latent Flow Matching
RNA function arises from the coupling of nucleotide sequence and three-dimensional structure, motivating their joint design.Mathematical Invariant-Enabled Topological Neural Networks for Molecular and Materials Property Prediction
Existing molecular and materials learning approaches often rely on a limited set of structural representations, which may capture only selected aspects of complex three-dimensional structure.Information-Dense Synthesis for Molecular Discovery
Machine learning can accelerate molecular discovery by designing molecules and planning experiments.