Generative Topographic Mapping of the Docking Conformational Space

Following previous efforts to render the Conformational Space (CS) of flexible compounds by Generative Topographic Mapping (GTM), this polyvalent mapping technique is here adapted to the docking problem. Contact fingerprints (CF) characterize ligands from the perspective of the binding site by monit...

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Detalles Bibliográficos
Autores principales: Horvath, Dragos, Marcou, Gilles, Varnek, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6631714/
https://www.ncbi.nlm.nih.gov/pubmed/31216756
http://dx.doi.org/10.3390/molecules24122269

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6631714/
https://www.ncbi.nlm.nih.gov/pubmed/31216756
http://dx.doi.org/10.3390/molecules24122269

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