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Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods
BACKGROUND: Conformational sampling for small molecules plays an essential role in drug discovery research pipeline. Based on multi-objective evolution algorithm (MOEA), we have developed a conformational generation method called Cyndi in the previous study. In this work, in addition to Tripos force...
| Autores principales: | , , , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2010
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2992547/ https://www.ncbi.nlm.nih.gov/pubmed/21050454 http://dx.doi.org/10.1186/1471-2105-11-545 |