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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...

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Detalles Bibliográficos
Main Authors: Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
Formato: Artigo
Idioma:Inglês
Publicado: 2010
Assuntos:
Acceso en liña: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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