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Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search †

In this continuing work, we have updated our recently proposed Multi-fingerprint Similarity Search algorithm (MuSSel) by enabling the generation of dominant ionized species at a physiological pH and the exploration of a larger data domain, which included more than half a million high-quality small m...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Montaruli, Michele, Alberga, Domenico, Ciriaco, Fulvio, Trisciuzzi, Daniela, Tondo, Anna Rita, Mangiatordi, Giuseppe Felice, Nicolotti, Orazio
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6631269/
https://ncbi.nlm.nih.gov/pubmed/31207991
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24122233
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