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Knowledge-Based Elastic Potentials for Docking Drugs or Proteins with Nucleic Acids
Elastic ellipsoidal functions defined by the observed hydration patterns around the DNA bases provide a new basis for measuring the recognition of ligands in the grooves of double-helical structures. Here a set of knowledge-based potentials suitable for quantitative description of such behavior is e...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Biophysical Society
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1305121/ https://ncbi.nlm.nih.gov/pubmed/15501936 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.043612 |
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