Integrating structure-based and ligand-based approaches for computational drug design.

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How researchers see this paper

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Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “These molecular modeling procedures are followed by the synthesis of the most promising compounds [15].”
Role of computer-aided drug design in modern drug discovery (2015, methodology): “Several other methods can be applied upon integration of virtual screening tools, such as interaction-based, pharmacophore-based, and similarity-based approaches (Wilson and Lill 2011).”
A Structure-Based Drug Discovery Paradigm (2019, background): “In the second phase, the top hits are synthesized and optimized [15].”
Computational Methods in Drug Discovery (2014, methodology): “In a recent review by Wilson and Lill (2011), these methods are grouped into a major class of combined techniques called interaction based methods.”
Molecular Docking: Shifting Paradigms in Drug Discovery (2019, methodology): “Then, ligand-based approaches could be applied for rescoring the predicted docking poses [50,65,66].”
A perspective on multi-target drug discovery and design for complex diseases (2018, background): “Computational approaches such as cheminformatics and virtual screening, pharmacophore development, molecular docking and molecular dynamics are mainly used to identify new agents, define molecular determinants for enhanced activities, design and evaluate more efficient drugs with improved safety [42”