Combination of ligand- and structure-based methods in virtual screening.

By Malgorzata N. Drwal, R. Griffith. 2013

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Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “SBDD and LBDD approaches have been applied as valuable drug discovery tools both in academia and industry [9], owing to their versatility and synergistic character.”
Boosting Docking-Based Virtual Screening with Deep Learning (2016, methodology): “5,8,10 The selection of more potent ligands using Docking-based Virtual Screening (DBVS) is made by performing the insertion of each compound from a compound library into a particular region of a target receptor with elucidated 3D structure.”
Computational approaches in target identification and drug discovery (2016, methodology): “The combination of ligand and structure based molecular modeling methods, however, has become a common approach in virtual screening through sequential, parallel or hybrid approaches [59].”
Role of computer-aided drug design in modern drug discovery (2015, methodology): “Sequential virtual screening methods use successive ﬁlters in the research process to shrink the number of compounds before experimental evaluation (Prathipati et al. 2007; Drwal and Grifﬁth 2013; Kumar and Zhang 2015).”
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases (2018, unknown): “Therefore, non-structure-based VS methods are more preferable if a reliable target structure is not available [51].”