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A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation

Virtual screening (VS) is applied in the early drug discovery phases for the quick inspection of huge molecular databases to identify those compounds that most likely bind to a given drug target. In this context, there is the necessity of the use of compact molecular models for database screening an...

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Bibliografske podrobnosti
izdano v:Sci Rep
Main Authors: Oliver, Antoni, Canals, Vincent, Rosselló, Josep L.
Format: Artigo
Jezik:Inglês
Izdano: Nature Publishing Group 2017
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5338323/
https://ncbi.nlm.nih.gov/pubmed/28263323
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep43738
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