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ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research

Molecular docking is widely applied to computer-aided drug design and has become relatively mature in the recent decades. Application of docking in modeling varies from single lead compound optimization to large-scale virtual screening. The performance of molecular docking is highly dependent on the...

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Bibliographische Detailangaben
Veröffentlicht in:J Chem Inf Model
Hauptverfasser: Wang, Nanyi, Wang, Lirong, Xie, Xiang-Qun
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2017
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5836547/
https://ncbi.nlm.nih.gov/pubmed/29016123
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00277
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