Protein-Ligand Blind Docking Using QuickVina-W With Inter-Process Spatio-Temporal Integration

• Main Authors: Hassan, Nafisa Mohamed, Alhossary, Amr Ali, Mu, Yuguang, Kwoh, Chee-Keong
• Other Authors: School of Computer Science and Engineering
• Format: Article
• Language: English
• Published: 2018
• Subjects: Docking; QuickVina-W
• Online Access: https://hdl.handle.net/10356/89044; http://hdl.handle.net/10220/44804
• Institution: Nanyang Technological University

“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...