Evaluation of Docking Target Functions by the Comprehensive Investigation of Protein-Ligand Energy Minima

The adequate choice of the docking target function impacts the accuracy of the ligand positioning as well as the accuracy of the protein-ligand binding energy calculation. To evaluate a docking target function we compared positions of its minima with the experimentally known pose of the ligand in th...

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Veröffentlicht in:Adv Bioinformatics
Hauptverfasser: Oferkin, Igor V., Katkova, Ekaterina V., Sulimov, Alexey V., Kutov, Danil C., Sobolev, Sergey I., Voevodin, Vladimir V., Sulimov, Vladimir B.
Format: Artigo
Sprache:Inglês
Veröffentlicht: Hindawi Publishing Corporation 2015
Schlagworte:
Research Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4674582/
https://ncbi.nlm.nih.gov/pubmed/26693223
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2015/126858
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