A look at deep learning methods in drug discovery.
― 6 min read
Cutting edge science explained simply
A look at deep learning methods in drug discovery.
― 6 min read
Latest Articles
A new method enhances accuracy in predicting protein-ligand interactions.
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Exploring how charged polymers enhance DNA sequencing technologies.
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REMO improves molecular understanding through innovative reaction-based learning.
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A new method improves the generation of drug-like molecules with optical isomerism.
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Introducing Dual-Space Optimization to enhance drug design processes.
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New methods improve accuracy in predicting protein-ligand interactions.
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Molecular shapes impact drug design and interactions.
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RiNALMo is an advanced RNA language model for predicting RNA structures and functions.
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A new approach improves peptide drug design using AI and a comprehensive dataset.
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New methods improve identification of protein interactions in scientific literature.
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Sort Slice improves how chemical data is processed using extended-connectivity fingerprints.
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A new dataset improves assessment of molecular knowledge in language models.
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A new method for better understanding complex molecules using motifs and graphs.
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Exploring self-consistency training's role in enhancing Hamiltonian prediction for molecular properties.
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GeoBFN addresses key challenges in generating accurate 3D molecular structures.
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An overview of methods to study systems with varying particle counts.
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This research presents a combined approach for quicker protein movement simulations.
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This article examines how simple autocatalysts grow and compete in chemical systems.
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FraGNNet improves mass spectrum prediction for better compound identification.
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UnifyImmun predicts antigen binding, enhancing cancer immunotherapy effectiveness.
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Kermut improves protein variant prediction accuracy by addressing uncertainties in outcomes.
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Research reveals RNA misfolding at low temperatures affects its function.
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VN-EGNN improves drug development by enhancing binding site identification on proteins.
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AI aids in creating drugs to treat brain-related conditions by crossing the blood-brain barrier.
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A new tool improves tracking of microtubules in cell studies.
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Research reveals how TCR sequences determine antigen recognition and its implications for therapy.
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A new model, MolCRAFT, improves drug design by generating realistic molecular structures.
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ApisTox offers crucial insights into pesticide effects on honey bees.
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HEroBM improves accuracy in backmapping coarse-grained molecular simulations.
― 7 min read
New techniques for faster and flexible molecular structure generation are emerging.
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A new method streamlines drug design by generating tailored molecules efficiently.
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Researchers develop efficient models to study lipid membranes and cellular dynamics.
― 7 min read
A new approach reveals how proteins function in natural environments.
― 6 min read
UniCorn integrates diverse pre-training methods for effective molecular representation learning.
― 5 min read
A new AI tool improves drug discovery by generating better molecules faster.
― 5 min read
New methods enhance quality and diversity in scientific data collection.
― 6 min read
Abl1 kinase is vital in managing cellular processes and cancer development.
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This article explains amyloid fibrils and their link to various diseases.
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Genie 2 enhances protein design with AI, enabling complex structures and functions.
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Saturn improves drug discovery by efficiently generating effective molecules for treatment.
― 5 min read