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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...

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Detalles Bibliográficos
Autores principales:	Li, Xiuming, Yan, Xin, Yang, Yuedong, Gu, Qiong, Zhou, Huihao, Du, Yunfei, Lu, Yutong, Liao, Jielou, Xu, Jun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
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

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