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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| 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 |