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Construction and test of ligand decoy sets using MDock: CSAR benchmarks for binding mode prediction

Two sets of ligand binding decoys have been constructed for the CSAR (Community Structure-Activity Resource) benchmark by using the MDock and DOCK programs for rigid-ligand and flexible-ligand docking, respectively. The decoys generated for each complex in the benchmark thoroughly cover the binding...

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Bibliografske podrobnosti
Main Authors: Huang, Sheng-You, Zou, Xiaoqin
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3190646/
https://ncbi.nlm.nih.gov/pubmed/21755952
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200080g
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