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Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method
Accurate methods for predicting protein-ligand binding affinities are of central interest to computer-aided drug design for hit identification and lead optimization. Here, we used the mining minima (M2) method to predict cucurbit[7]uril binding affinities from the SAMPL4 blind prediction challenge....
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4053532/ https://ncbi.nlm.nih.gov/pubmed/24510191 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9726-2 |
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