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Reduction of False Positives in Structure-Based Virtual Screening When Receptor Plasticity Is Considered

Structure-based virtual screening for selecting potential drug candidates is usually challenged by how numerous false positives in a molecule library are excluded when receptor plasticity is considered. In this study, based on the binding energy landscape theory, a hypothesis that a true inhibitor c...

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Detalles Bibliográficos
Autores principales: Awuni, Yaw, Mu, Yuguang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272817/
https://www.ncbi.nlm.nih.gov/pubmed/25808156
http://dx.doi.org/10.3390/molecules20035152