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An NMR-based scoring function improves the accuracy of binding pose predictions by docking by two orders of magnitude
Low-affinity ligands can be efficiently optimized into high-affinity drug leads by structure based drug design when atomic-resolution structural information on the protein/ligand complexes is available. In this work we show that the use of a few, easily obtainable, experimental restraints improves t...
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| Huvudupphovsmän: | , , , , |
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| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
Springer Netherlands
2011
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3266494/ https://ncbi.nlm.nih.gov/pubmed/22167466 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-011-9590-5 |
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