Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening

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What is the potential of structure-based target prediction methods?RepurposeVS: A Drug Repurposing-Focused Computational Method for Accurate Drug-Target Signature Predictions.Ligand- and receptor-based docking with LiBELa.

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Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening

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2014 nî lūn-bûn

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2014年の論文

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Best of both worlds: on the co ...... ucture-based virtual screening

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Best of both worlds: on the co ...... ucture-based virtual screening

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Best of both worlds: on the co ...... ucture-based virtual screening

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Fabio Broccatelli

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Nathan Brown

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

Profile of the GSK published protein kinase inhibitor set across ATP-dependent and-independent luciferases: implications for reporter-gene assays

Benchmarking sets for molecular docking

Comparison of topological, shape, and docking methods in virtual screening.

Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy.

Cross-docking of inhibitors into CDK2 structures. 1.

Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase.

Conformer generation with OMEGA: learning from the data set and the analysis of failures.

Boosting virtual screening enrichments with data fusion: coalescing hits from two-dimensional fingerprints, shape, and docking.

Data set modelability by QSAR

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1634-1641

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scholarly article

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10.1021/CI5001604

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2014-05-30T00:00:00Z

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262786612

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Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening

about

P2860

P2860

Best of both worlds: on the complementarity of ligand-based and structure-based virtual screening

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P1476

P2093

P2860

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P2860

P304

P31

P356

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