A carregar...
Calculation of Diffusion Coefficients through Coarse-Grained Simulations Using the Automated-Fragmentation-Parametrization Method and the Recovery of Wilke–Chang Statistical Correlation
[Image: see text] We introduce a model for the calculation of diffusion coefficients using dissipative particle dynamics coarse-grained molecular simulations. We validate the model on experimental diffusion data of small organics and drug-like molecules in water. The new model relies on our automate...
Na minha lista:
| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2017
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5997386/ https://ncbi.nlm.nih.gov/pubmed/29272586 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b01093 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|