Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MM

作者：Fritz Matthew; Quinn Caitlin M; Wang Mingzhang; Hou Guangjin; Lu Xingyu; Koharudin Leonardus M I; Struppe Jochem; Case David A; Polenova Tatyana; Gronenborn Angela M

来源：Physical Chemistry Chemical Physics, 2018, 20(14): 9543-9553.

DOI：10.1039/c8cp00647d

Experimental-NMR and calculated-QM/MM 13Cα and 15NH chemical-shift tensors are presented for microcrystalline OAA; factors determining the calculation accuracy are discussed.

• 出版日期2018-4-14
• 单位The University of Delaware; university of Delaware; University of Pittsburgh School of Medicine; Rutgers University