Wordt geladen...
Prediction of SAMPL3 Host-Guest Affinities with the Binding Energy Distribution Analysis Method (BEDAM)
BEDAM calculations are described to predict the free energies of binding of a series of anaesthetic drugs to a recently characterized acyclic cucurbituril host. The modeling predictions, conducted as part of the SAMPL3 host-guest affinity blind challenge, are generally in good quantitative agreement...
Bewaard in:
| Hoofdauteurs: | , |
|---|---|
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2012
|
| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3383899/ https://ncbi.nlm.nih.gov/pubmed/22354755 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-012-9552-3 |
| Tags: |
Voeg label toe
Geen labels, Wees de eerste die dit record labelt!
|