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HBonanza: A Computer Algorithm for Molecular-Dynamics-Trajectory Hydrogen-Bond Analysis
In the current work, we present a hydrogen-bond analysis of 2,673 ligand-receptor complexes that suggests the total number of hydrogen bonds formed between a ligand and its protein receptor is a poor predictor of ligand potency; furthermore, even that poor prediction does not suggest a statistically...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2011
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3218086/ https://ncbi.nlm.nih.gov/pubmed/21880522 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2011.07.008 |
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