Publications

Julia Gebhardt, and Niels Hansen. Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations. Fluid phase equilibria, (422):1-17, Elsevier, 2016. [PUMA: mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie wos]

Lorna J. Smith, Wilfred F. van Gunsteren, and Niels Hansen. Using Complementary NMR Data Sets To Detect Inconsistencies and Model Flaws in the Structure Determination of Human Interleukin-4. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, (121)29:7055-7063, American Chemical Society, 2017. [PUMA: ubs_10004 ubs_20005 ubs_30058 ubs_40083 unibibliografie wos]

Lorna J. Smith, Wilfred F. van Gunsteren, and Niels Hansen. On the use of time-averaging restraints when deriving biomolecular structure from 3J-coupling values obtained from NMR experiments. Journal of biomolecular NMR, (66)1:69-83, Springer, 2016. [PUMA: ubs_10004 ubs_20005 ubs_30058 ubs_40083 unibibliografie wos]

Wilfred F. van Gunsteren, Jane R. Allison, Xavier Daura, Jozica Dolenc, Niels Hansen, Alan E. Mark, Chris Oostenbrink, Victor H. Rusu, and Lorna J. Smith. Deriving Structural Information from Experimentally Measured Data on Biomolecules. Angewandte Chemie. International edition, (55)52:15990-16010, Wiley-VCH, 2016. [PUMA: ubs_10004 ubs_20005 ubs_30058 ubs_40083 unibibliografie wos]

Lorna J. Smith, Roya Athill, Wilfred F. van Gunsteren, and Niels Hansen. Interpretation of Seemingly Contradictory Data: Low NMR S-2 Order Parameters Observed in Helices and High NMR S-2 Order Parameters in Disordered Loops of the Protein hGH at Low pH. Chemistry - a European journal, (23)40:9585-9591, Wiley-VCH, 2017. [PUMA: ubs_10004 ubs_20005 ubs_30058 ubs_40083 unibibliografie wos]

Jörg Baz, and Niels Hansen. Untersuchung der Aggregation von Perylenderivaten in wässriger Lösung mittels atomistischer Simulationen. 2015. [PUMA: hp mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]

Jörg Baz, and Niels Hansen. Molecular Dynamics Simulations of Supramolecular Complexes in Aqueous Solution. 2015. [PUMA: hp mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]

Jörg Baz, and Niels Hansen. MD of Supramolecular Complexes. 2015. [PUMA: hp mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]

Jörg Baz, and Niels Hansen. Modeling and prediction of supramolecular complexes. 2015. [PUMA: ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]

Jörg Baz, and Niels Hansen. Atomistic Simulations of Supramolecular Complexes in Aqueous Solution - Hünfeld. 2015. [PUMA: hp mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]

Jörg Baz, and Niels Hansen. Atomistic Simulations of Supramolecular Complexes in Aqueous Solution - Athen. 2015. [PUMA: hp mult ubs_10004 ubs_20005 ubs_30058 ubs_40083 ubs_40084 unibibliografie]