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Multipose Binding in Molecular Docking

Molecular docking has been extensively applied in virtual screening of small molecule libraries for lead identification and optimization. A necessary prerequisite for successful differentiation between active and non-active ligands is the accurate prediction of their binding affinities in the comple...

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Библиографические подробности
Главные авторы: Atkovska, Kalina, Samsonov, Sergey A., Paszkowski-Rogacz, Maciej, Pisabarro, M. Teresa
Формат: Artigo
Язык:Inglês
Опубликовано: Molecular Diversity Preservation International (MDPI) 2014
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3958872/
https://ncbi.nlm.nih.gov/pubmed/24534807
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms15022622
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