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Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking

In molecular docking, it is challenging to develop a scoring function which is accurate to conduct high throughput screenings (HTS). Most scoring functions implemented in popular docking software packages were developed with many approximations for computational efficiency, which sacrifices the accu...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2010
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3043139/
https://ncbi.nlm.nih.gov/pubmed/20949517
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21666
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