טוען...
Ion-hydroxyl interactions: From high-level quantum benchmarks to transferable polarizable force fields
Ion descriptors in molecular mechanics models are calibrated against reference data on ion-water interactions. It is then typically assumed that these descriptors will also satisfactorily describe interactions of ions with other functional groups, such as those present in biomolecules. However, seve...
שמור ב:
| הוצא לאור ב: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2019
|
| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6598712/ https://ncbi.nlm.nih.gov/pubmed/30830778 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01198 |
| תגים: |
הוספת תג
אין תגיות, היה/י הראשונ/ה לתייג את הרשומה!
|