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Converging Nuclear Magnetic Shielding Calculations with Respect to Basis and System Size in Protein Systems

Ab initio chemical shielding calculations greatly facilitate the interpretation of nuclear magnetic resonance (NMR) chemical shifts in biological systems, but the large sizes of these systems requires approximations in the chemical models used to represent them. Achieving good convergence in the pre...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Biomol NMR
Egile Nagusiak: Hartman, Joshua D., Neubauer, Thomas J., Caulkins, Bethany G., Mueller, Leonard J., Beran, Gregory J. O.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2015
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC4512207/
https://ncbi.nlm.nih.gov/pubmed/25993979
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-015-9947-2
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