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mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance

The ability to predict how a mutation affects ligand binding is an essential step in understanding, anticipating and improving the design of new treatments for drug resistance, and in understanding genetic diseases. Here we present mCSM-lig, a structure-guided computational approach for quantifying...

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Библиографические подробности
Опубликовано в: :Sci Rep
Главные авторы: Pires, Douglas E. V., Blundell, Tom L., Ascher, David B.
Формат: Artigo
Язык:Inglês
Опубликовано: Nature Publishing Group 2016
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4935856/
https://ncbi.nlm.nih.gov/pubmed/27384129
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep29575
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