Knowledge-based fragment binding prediction.

Target-based drug discovery must assess many drug-like compounds for potential activity. Focusing on low-molecular-weight compounds (fragments) can dramatically reduce the chemical search space. However, approaches for determining protein-fragment interactions have limitations. Experimental assays a...

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Autores principales: Grace W Tang, Russ B Altman
Formato: article
Lenguaje:EN
Publicado: Public Library of Science (PLoS) 2014
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Acceso en línea:https://doaj.org/article/f5f13f86fd164876ab8053b1c99e4bff
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