A carregar...
Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril–Guest Binding Enthalpies
[Image: see text] We used microsecond time scale molecular dynamics simulations to compute, at high precision, binding enthalpies for cucurbit[7]uril (CB7) with eight guests in aqueous solution. The results correlate well with experimental data from previously published isothermal titration calorime...
Na minha lista:
| Main Authors: | , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2014
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4159218/ https://ncbi.nlm.nih.gov/pubmed/25221445 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct5004109 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|