Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

By W. Welch, J. Ruppert, A. N. Jain. 1996

Subfields: Computational Chemistry & Drug Discovery

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In Computational Chemistry & Drug Discovery

1. Adriano Defini Andricopulo
2. Ricardo N Dos Santos
3. L. Ferreira
4. Glaucius Oliva
5. Stefano Moro
6. Hong-Xing Zhang
7. D. Lee
8. Meng Cui

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, methodology): “…eHiTS [28] AutoDock [34] FRED [30] Gold [35] Surflex-Dock [31] PRO_LEADS [44] DOCK [32] EADock [45] GLIDE [37] ICM [46] EUDOC [38] LigandFit [47] FlexX [39] Molegro Virtual Docker [48] Hammerhead [40] CDocker [49] Flog [41] GlamDock [50] SLIDE [42] PLANTS [51] ADAM [43] MolDock [52] MOE_Dock [53]”
• Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview (2018, methodology): “Examples of methods utilizing fragmentation are FlexX (Rarey et al., 1996) and Hammerhead (Welch et al., 1996). c. Conformational Ensemble - rigid docking algorithms can be easily enriched by a sort of flexibility if an ensemble of previously generated conformers of the ligand is docked to the…”
• Molecular docking: a powerful approach for structure-based drug discovery. (2011, background): “The incremental construction method has been used in DOCK 4.0 [51], FlexX [30], Hammerhead [52], SLIDE [53] and eHiTS [54].”
• Flexible ligand docking using conformational ensembles (1998, background): “The approach is nevertheless robust enough to search diverse sets of ligands automatically (Welch et al., 1996).”
• Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go (2008, background): “Hammerhead (Welch et al., 1996) N/A IC HADDOCK (Dominguez et al.”