A fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pockets

MOTIVATION: With the rapid increase of the structural data of biomolecular complexes, novel structural analysis methods have to be devised with high-throughput capacity to handle immense data input and to construct massive networks at the minimal computational cost. Moreover, novel methods should be...

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Detalles Bibliográficos
Autores principales: ElGamacy, Mohammad, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4631714/
https://www.ncbi.nlm.nih.gov/pubmed/26561508
http://dx.doi.org/10.1186/s13321-015-0091-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4631714/
https://www.ncbi.nlm.nih.gov/pubmed/26561508
http://dx.doi.org/10.1186/s13321-015-0091-5

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