Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systems
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NMR Crystallography of a Carbanionic Intermediate in Tryptophan Synthase: Chemical Structure, Tautomerization, and Reaction SpecificityHow Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-MethyltransferaseEnhanced NMR Discrimination of Pharmaceutically Relevant Molecular Crystal Forms through Fragment-Based Ab Initio Chemical Shift PredictionsSolution-State (17)O Quadrupole Central-Transition NMR Spectroscopy in the Active Site of Tryptophan Synthase.Benchmark fragment-based (1)H, (13)C, (15)N and (17)O chemical shift predictions in molecular crystals.Exploring the Dependence of QM/MM Calculations of Enzyme Catalysis on the Size of the QM Region.Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MMDo Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters
P2860
Q28818305-B6B8EBCB-FD69-44BC-BC32-C1FFF045CD29Q28821486-5A5EA826-51D3-4D36-BA4C-9B7C19BCD64BQ28822176-73E6E9AE-FEF8-4061-82EF-8DCCFF768718Q38394089-FE799423-77AD-464D-B57A-1255FAB23D02Q39587811-FBA75298-0BE4-40BC-B312-985F4C4D1710Q41179393-E45CE68F-F60E-4D08-A604-6CAC771C1608Q57904527-D5FACAC1-0B47-40A7-A5CA-715B5DDF166CQ58692239-C9AEF620-A1DB-40F9-9393-333567A96ED4
P2860
Converging nuclear magnetic shielding calculations with respect to basis and system size in protein systems
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2015 nî lūn-bûn
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2015年の論文
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2015年論文
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2015年論文
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2015年論文
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2015年論文
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2015年論文
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2015年论文
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2015年论文
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2015年论文
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name
Converging nuclear magnetic sh ...... system size in protein systems
@ast
Converging nuclear magnetic sh ...... system size in protein systems
@en
type
label
Converging nuclear magnetic sh ...... system size in protein systems
@ast
Converging nuclear magnetic sh ...... system size in protein systems
@en
prefLabel
Converging nuclear magnetic sh ...... system size in protein systems
@ast
Converging nuclear magnetic sh ...... system size in protein systems
@en
P2093
P2860
P1476
Converging nuclear magnetic sh ...... system size in protein systems
@en
P2093
Bethany G Caulkins
Gregory J O Beran
Joshua D Hartman
Thomas J Neubauer
P2860
P2888
P304
P356
10.1007/S10858-015-9947-2
P577
2015-05-21T00:00:00Z