Latest developments in molecular docking: 2010–2011 in review

By Elizabeth Yuriev, Paul A. Ramsland. Journal of Molecular Recognition, 2013

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Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data? (2018, methodology): “Molecular docking is a computational method that predicts the binding orientations of the ligands into a receptor-binding site; in this sense, it is a popular method in medicinal chemistry research [1].”
PLIP: fully automated protein–ligand interaction profiler (2015, background): “The elimination of false positive results from docking re-sults can be performed using post processing pipelines (22).”
Structure-Based Virtual Screening: From Classical to Artificial Intelligence (2020, methodology): “After generating decoys, a VS process is performed using known TPCs and decoys against a target of interest (Yuriev and Ramsland, 2013).”
Key Topics in Molecular Docking for Drug Design (2019, background): “Mach ne learning SFs have been regarded both as knowledge-bas d [186,187] and empirical”
Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls (2015, background): “The majority of docking methods development research has been focused on the effective prediction of the binding modes of non-covalent inhibitors [35–40].”