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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...
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| Publicado no: | J Cheminform |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4631714/ https://ncbi.nlm.nih.gov/pubmed/26561508 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0091-5 |
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