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Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation
Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation ef...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2700966/ https://www.ncbi.nlm.nih.gov/pubmed/19593374 http://dx.doi.org/10.1371/journal.pcbi.1000435 |