Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration
Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration
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London: Nature Publishing Group UK
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English
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London: Nature Publishing Group UK
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“Virtual Screening” is a common step of in silico drug design, where researchers screen a large library of small molecules (ligands) for interesting hits, in a process known as “Docking”. However, docking is a computationally intensive and time-consuming process, usually restricted to small size binding sites (pockets) and small number of interacti...
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Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration
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TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_5684369
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_5684369
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ISSN
2045-2322
E-ISSN
2045-2322
DOI
10.1038/s41598-017-15571-7
