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Article

A model binding site for testing scoring functions in molecular docking.

Journal of molecular biology - 13 Sept 2002

Wei Binqing Q, Baase Walter A, Weaver Larry H, Matthews Brian W, Shoichet Brian K

Abstract excerpt

Prediction of interaction energies between ligands and their receptors remains a major challenge for structure-based inhibitor discovery. Much effort has been devoted to developing scoring schemes that can successfully rank the affinities of a diverse set of possible ligands to a binding site for which the structure is known. To test these scoring functions, well-characterized experimental systems can be very...

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PMID: 12217695
DOI: 10.1016/s0022-2836(02)00777-5

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

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