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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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Autori principali: Faver, John C., Ucisik, Melek N., Yang, Wei, Merz, Kenneth M.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2013
Accesso online: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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