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Journal Article (2)

1.
Journal Article
Heinz, L. P.; Grubmüller, H.: Computing spatially resolved rotational hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation 16 (1), pp. 108 - 118 (2020)
2.
Journal Article
Heinz, L. P.; Kopec, W.; de Groot, B. L.; Fink, R. H. A.: In silico assessment of the conduction mechanism of the ryanodine receptor 1 reveals previously unknown exit pathways. Scientific Reports 8, 6886 (2018)

Conference Paper (3)

3.
Conference Paper
Heinz, L. P.; Grubmüller, H.: Computing spatially resolved rotational hydration-shell entropies from MD simulations using an orientational k-nearest-neighbor density estimator. 64th Annual Meeting of the Biophysical-Society , San Diego, CA, February 15, 2020 - February 19, 2020. Biophysical Journal 118 (Suppl_1), 3 Ed., p. 141A - 141A (2020)
4.
Conference Paper
Heinz, L. P.; Grubmüller, H.: Charting the hydrophobic Effect: Computing spatially resolved absolute hydration shell entropies. 63rd Annual Meeting of the Biophysical-Society , Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), pp. 143A - 143 (2019)
5.
Conference Paper
Heinz, L. P.; Grubmüller, H.: Calculation of absolute solvation shell entropies from MD trajectories via permutation reduction. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal (Suppl), 3 Ed., p. 677a - 677a (2018)
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