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1001 Ways to run AutoDock Vina for virtual screening

Large-scale computing technologies have enabled high-throughput virtual screening involving thousands to millions of drug candidates. It is not trivial, however, for biochemical scientists to evaluate the technical alternatives and their implications for running such large experiments. Besides exper...

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Bibliografske podrobnosti
izdano v:J Comput Aided Mol Des
Main Authors: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Format: Artigo
Jezik:Inglês
Izdano: Springer International Publishing 2016
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC4801993/
https://ncbi.nlm.nih.gov/pubmed/26897747
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9900-9
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