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PL-PatchSurfer2: Improved Local Surface Matching-Based Virtual Screening Method that is Tolerant to Target and Ligand Structure Variation

Virtual screening has become an indispensable procedure in the drug discovery. Virtual screening methods can be classified into two categories, ligand-based and structure-based methods. While the former have advantages, including being quick to compute, in general they are relatively weak at discove...

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Bibliographische Detailangaben
Veröffentlicht in:J Chem Inf Model
Hauptverfasser: Shin, Woong-Hee, Christoffer, Charles W., Wang, Jibo, Kihara, Daisuke
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2016
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5037053/
https://ncbi.nlm.nih.gov/pubmed/27500657
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00163
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