Publikationen von Leonard Heinz

Heinz, L.; Grubmüller, H.: Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim’s Theorem. Journal of Chemical Theory and Computation 19 (22), S. 8013 - 8019 (2023)

Witkowska, A.; Heinz, L. P.; Grubmüller, H.; Jahn, R.: Tight docking of membranes before fusion represents a novel, metastable state with unique properties. Nature Communications 12, 3606 (2021)

Heinz, L. P.; Grubmüller, H.: Computing spatially resolved rotational hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation 16 (1), S. 108 - 118 (2020)

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)

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, 15. Februar 2020 - 19. Februar 2020. Biophysical Journal 118 (Suppl_1), 3 Aufl., S. 141A - 141A (2020)

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, 02. März 2019 - 06. März 2019. Biophysical Journal 116 (Suppl_1), S. 143A - 143 (2019)

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, 17. Februar 2018 - 21. Februar 2018. Biophysical Journal (Suppl), 3 Aufl., S. 677a - 677a (2018)