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Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration
“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 bin...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5684369/ https://www.ncbi.nlm.nih.gov/pubmed/29133831 http://dx.doi.org/10.1038/s41598-017-15571-7 |