Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method

By S. Handschuh, M. Wagener, J. Gasteiger. 1998

Subfields: Computational Chemistry & Drug Discovery

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In Computational Chemistry & Drug Discovery

1. Glaucius Oliva
2. Adriano Defini Andricopulo
3. L. Ferreira
4. Ricardo N Dos Santos
5. Giulio Rastelli
6. Luca Pinzi

Citations in the corpus

• Molecular Docking and Structure-Based Drug Design Strategies (2015, background): “…[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 [164] LigBuilder [165,166]”
• Multiobjective Optimization in Bioinformatics and Computational Biology (2007, background): “tions involving local structure alignment, MOO approaches have been applied by a number of researchers [97], [98], [99], [100].”