Development and validation of a genetic algorithm for flexible docking.
By G. Jones, Peter Willett, Robert C. Glen, Andrew R. Leach, Robin Taylor. 1997
Subfields: Natural Language Processing, Computational Chemistry & Drug Discovery
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In Natural Language Processing
- Gerhard Klebe
- Shengyou Huang
- Jinn-Moon Yang
- Haim J. Wolfson
- Ruth Nussinov
- Xiaoqin Zou
- Shaomeng Wang
- Jason C. Cole
In Computational Chemistry & Drug Discovery
- Shengyou Huang
- Xiaoqin Zou
- Elizabeth Yuriev
- Paul A. Ramsland
- Adriano Defini Andricopulo
- Glaucius Oliva
- Ricardo N Dos Santos
- L. Ferreira
Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “Genetic algorithms (GA) are an interesting application of the stochastic search, which have been successfully used in molecular docking programs such as AutoDock and Gold [34,35].”
- Virtual ligand screening: strategies, perspectives and limitations (2006, methodology): “12, 471–490 91 Jones, G. et al. (1997) Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 267, 727–748 92 Rarey, M. et al. (1996) A fast flexible docking method using an incremental construction algorithm.”
- Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods (2016, methodology): “Some well-established ones exist, such as AutoDock [153], GOLD [154], DOCK [155,156], FlexX [157], and Glide [158], which implement different algorithms to solve the docking problem and have a large and rather stable number of users.”
- Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening (2016, methodology): “These are X-Score [7], Glidescore-SP [18] from the Schrodinger software package, and ChemPLP [19] from the GOLD software package [20].”
- Software for molecular docking: a review (2017, methodology): “With the exception of GOLD, almost all current flexible ligand docking programs treat the receptor as rigid (Jones et al. 1997).”
- Improved protein–ligand docking using GOLD (2003, methodology): “Table IV separates the complexes in the validation set into four categories: (1) complexes for which the binding mode is predicted correctly by both the Goldscore and the Chemscore function; (2) complexes that are predicted correctly only by the Goldscore function; (3) complexes that are predicted c”
- Principles of docking: An overview of search algorithms and a guide to scoring functions (2002, methodology): “38,77,112,113 Zhao and colleagues 114 have analyzed a dataset of paired protein structures, which have multiple high quality uncomplexed structures available in the PDB.”