Φορτώνει......
Performance of Density Functional Models to Reproduce Observed (13)C(α) Chemical Shifts of Proteins in Solution
The purpose of this work is to test several density functional models (namely, OPBE, O3LYP, OPW91, BPW91, OB98, BPBE, B971, OLYP, PBE1PBE, and B3LYP) to determine their accuracy and speed for computing (13)C(α) chemical shifts in proteins. The test is applied to 10 NMR-derived conformations of the 7...
Αποθηκεύτηκε σε:
| Κύριοι συγγραφείς: | , , |
|---|---|
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
2009
|
| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2779021/ https://ncbi.nlm.nih.gov/pubmed/18780343 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21105 |
| Ετικέτες: |
Προσθήκη ετικέτας
Δεν υπάρχουν, Καταχωρήστε ετικέτα πρώτοι!
|