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Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors

Molecular docking is widely used to obtain binding modes and binding affinities of a molecule to a given target protein. Despite considerable efforts, however, prediction of both properties by docking remains challenging mainly due to protein’s structural flexibility and inaccuracy of scoring functi...

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Hlavní autoři: Lee, Hui Sun, Jo, Sunhwan, Lim, Hyun-Suk, Im, Wonpil
Médium: Artigo
Jazyk:Inglês
Vydáno: 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3480999/
https://ncbi.nlm.nih.gov/pubmed/22731511
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci3000997
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