טוען...
Evaluation of methods to cap molecular fragments in calculating energies of interaction in avian pancreatic polypeptide
The accuracy of the determination of the energy of interaction between Phe20 and the Pro5-Thr6-Tyr7-Pro8 complex inside the hydrophobic core of avian pancreatic polypeptide was investigated using three capping strategies for molecular fractionation with conjugated caps and DFT quantum chemical calcu...
שמור ב:
| Main Authors: | , , , , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2008
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2577377/ https://ncbi.nlm.nih.gov/pubmed/18985167 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/qua.21553 |
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