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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Bibliographic Details
Main Authors: Jaghoori, Mohammad Mahdi, Bleijlevens, Boris, Olabarriaga, Silvia D.
Format: Online
Language:English
Published: Springer International Publishing 2016
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4801993/