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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...

詳細記述

保存先:
書誌詳細
主要な著者: Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei
フォーマット: Artigo
言語:Inglês
出版事項: 2010
主題:
オンライン・アクセス: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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