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box plots comparing ligunity  (Merck & Co)

 
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    Merck & Co box plots comparing ligunity
    Box Plots Comparing Ligunity, supplied by Merck & Co, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/box+plot/ligunity/pmc12546767__mmc2-893-2-13
    Average 86 stars, based on 1 article reviews
    box plots comparing ligunity - by Bioz Stars, 2026-10
    86/100 stars

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    Related Articles

    Binding Assay:

    Article Title: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space
    Article Snippet: .. We evaluated LigUnity on two FEP benchmarks (JACS and Merck ) to predict binding free energies, which are the most widely used indicators for hit-to-lead optimization. ..

    Article Title: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space
    Article Snippet: .. Even under the most challenging setting where both similar ligands and proteins are excluded, LigUnity achieves an r 2 of 0.472 on the Merck benchmark after fine-tuning on 80% of ligands (23.2 ligands on average for each target), reaching performance comparable to FEP+(OPLS4) ( r 2 = 0.528), a leading commercial computational software for calculating the binding free energy. ..

    Article Title: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space
    Article Snippet: .. For experiments on the Merck and JACS benchmarks, we additionally compared LigUnity with physics-based binding free energy calculation methods including Prime-MM/GBSA 32 and FEP+. ..

    Software:

    Article Title: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space
    Article Snippet: .. Even under the most challenging setting where both similar ligands and proteins are excluded, LigUnity achieves an r 2 of 0.472 on the Merck benchmark after fine-tuning on 80% of ligands (23.2 ligands on average for each target), reaching performance comparable to FEP+(OPLS4) ( r 2 = 0.528), a leading commercial computational software for calculating the binding free energy. ..



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