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

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

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EXNER, Thomas E., Andrea FRANK, Onila IONUT, Heiko M. MÖLLER, 2012. Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model. In: Journal of Chemical Theory and Computation. 8(11), pp. 4818-4827. ISSN 1549-9618. eISSN 1549-9626. Available under: doi: 10.1021/ct300701m

@article{Exner2012Towar-21314, title={Toward the Quantum Chemical Calculation of NMR Chemical Shifts of Proteins. 3. Conformational Sampling and Explicit Solvents Model}, year={2012}, doi={10.1021/ct300701m}, number={11}, volume={8}, issn={1549-9618}, journal={Journal of Chemical Theory and Computation}, pages={4818--4827}, author={Exner, Thomas E. and Frank, Andrea and Ionut, Onila and Möller, Heiko M.} }

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