HIGHLIGHTS
- who: Nathalie Lagarde et al. from the Laboratoire GBCM, EA7528, Conservatoire National des Arts et Métiers, Rue Conté, Hésam Université have published the research: A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments, in the Journal: (JOURNAL)
- what: The authors show that the protocol is able to identify active drugs within the top-ranked compounds.
- how: For the MTiOpenScreen Vina docking the authors used grid center coordinates of 12.036 46.084 and 24.851 (using 1PXI as reference) and a grid size of 20 Å × 20 Å × 20 Å.
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