Publications of Leonard Heinz
All genres
Journal Article (4)
1.
Journal Article
19 (22), pp. 8013 - 8019 (2023)
Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim’s Theorem. Journal of Chemical Theory and Computation 2.
Journal Article
12, 3606 (2021)
Tight docking of membranes before fusion represents a novel, metastable state with unique properties. Nature Communications 3.
Journal Article
16 (1), pp. 108 - 118 (2020)
Computing spatially resolved rotational hydration entropies from atomistic simulations. Journal of Chemical Theory and Computation 4.
Journal Article
8, 6886 (2018)
In silico assessment of the conduction mechanism of the ryanodine receptor 1 reveals previously unknown exit pathways. Scientific Reports Conference Paper (3)
5.
Conference Paper
118 (Suppl_1), 3 Ed., p. 141A - 141A (2020)
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 6.
Conference Paper
116 (Suppl_1), pp. 143A - 143 (2019)
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 7.
Conference Paper
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)