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Computer-Aided Drug Design: Using Numbers to Your Advantage

Computer-aided drug design could benefit from a greater understanding of how errors arise and propagate in biomolecular modeling. With such knowledge, model predictions could be associated with quantitative estimates of their uncertainty. In addition, novel algorithms could be designed to proactivel...

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Detalles Bibliográficos
Main Authors: Faver, John C., Ucisik, Melek N., Yang, Wei, Merz, Kenneth M.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2013
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3846093/
https://ncbi.nlm.nih.gov/pubmed/24312700
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml4002634
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