טוען...
Force Field Parametrization of Metal Ions from Statistical Learning Techniques
[Image: see text] A novel statistical procedure has been developed to optimize the parameters of nonbonded force fields of metal ions in soft matter. The criterion for the optimization is the minimization of the deviations from ab initio forces and energies calculated for model systems. The method e...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
American
Chemical Society
2017
|
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5763284/ https://ncbi.nlm.nih.gov/pubmed/29112432 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00779 |
| תגים: |
הוספת תג
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|