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LSA: a local-weighted structural alignment tool for pharmaceutical virtual screening
Similar structures having similar activities is a dogma for identifying new functional molecules. However, it is not rare that a minor structural change can cause a significant activity change. Methods to measure the molecular similarity can be classified into two categories of overall three-dimensi...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060470/ https://www.ncbi.nlm.nih.gov/pubmed/35518105 http://dx.doi.org/10.1039/c8ra08915a |