Datasets
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NMR data for titration of various mutants in a highly charge depleted protein EXG:CBM
Winther, J. R. (Creator), Højgaard, C. (Creator) & Teilum, K. (Creator), Zenodo, 2020
DOI: 10.5281/zenodo.3979153, https://zenodo.org/record/3979153
Dataset
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3x 1 µs all-atom MD trajectories; AMBER ff15ipq & SPC/Eb; T4 Lysozyme; 'Fitting side-chain NMR relaxation data using molecular simulations'
Kümmerer, F. (Creator), Orioli, S. (Creator), Harding-Larsen, D. (Creator), Hoffmann, F. (Creator), Gavrilov, Y. (Creator), Teilum, K. (Creator) & Lindorff-Larsen, K. (Creator), Zenodo, 2020
DOI: 10.5281/zenodo.3991429, https://zenodo.org/record/3991429
Dataset
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5x 1 µs all-atom MD trajectories; AMBER ff99SB*-ILDN & TIP4P/2005; T4 Lysozyme; 'Fitting side-chain NMR relaxation data using molecular simulations'
Kümmerer, F. (Creator), Orioli, S. (Creator), Harding-Larsen, D. (Creator), Hoffmann, F. (Creator), Gavrilov, Y. (Creator), Teilum, K. (Creator) & Lindorff-Larsen, K. (Creator), Zenodo, 2020
DOI: 10.5281/zenodo.3989057, https://zenodo.org/record/3989057
Dataset
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3x 5 µs all-atom MD trajectories; AMBER ff99SB*-ILDN & TIP4P/2005; T4 Lysozyme; 'Fitting side-chain NMR relaxation data using molecular simulations'
Kümmerer, F. (Creator), Orioli, S. (Creator), Harding-Larsen, D. (Creator), Hoffmann, F. (Creator), Gavrilov, Y. (Creator), Teilum, K. (Creator) & Lindorff-Larsen, K. (Creator), Zenodo, 2020
DOI: 10.5281/zenodo.3989044, https://zenodo.org/record/3989044
Dataset
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Rotamer distributions and spectral densities for 'Fitting side-chain NMR relaxation data using molecular simulations'
Kümmerer, F. (Creator), Orioli, S. (Creator), Harding-Larsen, D. (Creator), Hoffmann, F. (Creator), Gavrilov, Y. (Creator), Teilum, K. (Creator) & Lindorff-Larsen, K. (Creator), Zenodo, 2020
DOI: 10.5281/zenodo.3987818, https://zenodo.org/record/3987818
Dataset