Cargando…
Coarse-Grained Water Model Development for Accurate Dynamics and Structure Prediction
[Image: see text] Several coarse-graining (CG) methods have been combined to develop a CG model of water capable of the accurate prediction of structure and dynamics properties. The multiscale coarse-graining (MS-CG) method based on force matching and the PDF-based coarse-graining method were used f...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9330847/ https://www.ncbi.nlm.nih.gov/pubmed/35910114 http://dx.doi.org/10.1021/acsomega.2c03857 |