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TGSA-Flex: Extending the Capabilities of the Topo-Geometrical Superposition Algorithm to Handle Flexible Molecules
ArticleAbstract: In this work, an extension of the already studied Topo-Geometrical Superposition Approach (TGSA) isPalabras claves:Computer program, Flexibility, Flexible alignment, Molecular superposition, Rotary bonds, TGSA, Topo-geometrical approachAutores:Gironés X., Ramón Carbö-D̈orcaFuentes:scopusTGSA: A Molecular Superposition Program Based on Topo-Geometrical Considerations
ArticleAbstract: In this article, a new molecular alignment procedure to provide general-purpose, fast, automatic, anPalabras claves:alignment, Computer program, Molecular superposition, TGSA, Topo-geometrical approachAutores:Gironés X., Ramón Carbö-D̈orca, Robert D.Fuentes:scopus