A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
By Gareth Jones, Peter Willett, Robert C. Glen. 1995
Subfields: Optimization & Training, Computational Chemistry & Drug Discovery
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Optimization & Training
- Sheng-yong Yang
- Dina Schneidman-Duhovny
- Glaucius Oliva
- Sandeepkumar Kothiwale
- Jens Meiler
- Haim J. Wolfson
- E. W. Lowe
- Ruth Nussinov
In Computational Chemistry & Drug Discovery
- Ruth Nussinov
- Haim J. Wolfson
- Sheng-yong Yang
- Dina Schneidman-Duhovny
- Jens Meiler
- Robin Taylor
- Peter Willett
- Yuval Inbar
Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “Academic Hiphop [141] PharmaGist [154,155] HypoGen [141] ALADDIN [156] HypoRefine [141] RAPID [157] GASP [142,143] DANTE [158] DiscoTech [143,144] APOLLO [159] GALAHAD [143,145] CLEW [160] LigandScout [146,147] MPHIL [161] MOE [148,149] GAMMA [162] PHASE [150,151] SCAMPI [163] XED [152,153] Apex-3D…”
- Development and validation of a genetic algorithm for flexible docking. (1997, methodology): “With the exception that binary-coding was now preferred to Gray-coding, the methods described by Jones et al. (1995a) were used to generate the active site and ligand conformations.”
- RAPID: randomized pharmacophore identification for drug design (1997, methodology): “Another idea is to use optimized geometric hashing techniques from computer vision [23] or genetic algorithms [ 24 ].”
- PharmaGist: a webserver for ligand-based pharmacophore detection (2008, methodology): “Among them are SCAMPI (17), GAMMA (18–20), GASP (21,22) and GALAHAD (23,24) of Tripos and the MOGA-based method described in ref.”
- Computational Methods in Drug Discovery (2014, methodology): “…software packages used for ligandbased pharmacophore generation include Phase (Dixon, Smondyrev et al., 2006), MOE (Chemical Computing Group, Quebec, Canada), Catalyst (Kurogi and Güner, 2001), LigandScout (Inte:Ligand, Vienna, Austria), DISCO (Martin et al., 1993), and GASP (Jones et al., 1995).”
- Pharmacophore modeling and applications in drug discovery: challenges and recent advances. (2010, methodology): “19 Jones, G. et al. (1995) A genetic algorithm for flexible molecular overlay and”