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Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping

BACKGROUND: Two recent technological advances dramatically reducing the rate of false-negatives in activity prediction by docking flexible 3D models of compounds include multi-conformational docking (mPockDock) and the docking of candidates to atomic property fields derived by co-crystallized ligand...

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Bibliografski detalji
Izdano u:Future Med Chem
Glavni autori: Chen, Yu-Chen, Totrov, Max, Abagyan, Ruben
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4285145/
https://ncbi.nlm.nih.gov/pubmed/25407367
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4155/fmc.14.113
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