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AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina
BACKGROUND: Halogen bonding has recently come to play as a target for lead optimization in rational drug design. However, most docking program don’t account for halogen bonding in their scoring functions and are not able to utilize this new approach. In this study a new and improved halogen bonding...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4870740/ https://www.ncbi.nlm.nih.gov/pubmed/27195023 http://dx.doi.org/10.1186/s13321-016-0139-1 |