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LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening
MOTIVATION: Sequence-order independent structural comparison, also called structural alignment, of small ligand molecules is often needed for computer-aided virtual drug screening. Although many ligand structure alignment programs are proposed, most of them build the alignments based on rigid-body s...
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| Publicado no: | Bioinformatics |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Oxford University Press
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6022693/ https://ncbi.nlm.nih.gov/pubmed/29462237 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/bty081 |
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