Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model

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Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model

Author: Exner, Thomas E.; Frank, Andrea; Onila, Ionut; Moeller, Heiko M.
Tübinger Autor(en):
Exner, Thomas Eckart
Onila, Ionut
Published in: Journal of Chemical Theory and Computation (2012), Bd. 8, H. 11, S. 4818-4827
Verlagsangabe: Amer Chemical Soc
Language: English
Full text: http://dx.doi.org/10.1021/ct300701m
ISSN: 1549-9618
DDC Classifikation: 530 - Physics
540 - Chemistry and allied sciences
Dokumentart: Article
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