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Improving Binding Mode and Binding Affinity Predictions of Docking by Ligand-based Search of Protein Conformations: Evaluation in D3R Grand Challenge 2015

The growing number of protein-ligand complex structures, particularly the structures of proteins co-bound with different ligands, in the Protein Data Bank helps us tackle two major challenges in molecular docking studies: the protein flexibility and the scoring function. Here, we introduced a system...

詳細記述

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書誌詳細
出版年:J Comput Aided Mol Des
主要な著者: Xu, Xianjin, Yan, Chengfei, Zou, Xiaoqin
フォーマット: Artigo
言語:Inglês
出版事項: 2017
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC5711532/
https://ncbi.nlm.nih.gov/pubmed/28668990
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-017-0038-1
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