C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, und N. Hansen. Dataset, (2022)Related to: Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796. doi: 10.1016/j.micromeso.2022.111796.
M. Fleck, D. Markthaler, B. Stankiewicz, und N. Hansen. Dataset, (2022)Related to: Markthaler, Daniel; Fleck, Maximilian; Stankiewicz, Bartosz; Hansen, Niels: Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of Chemical Theory and Computation (2022). doi: 10.1021/acs.jctc.1c01012.
J. Eller, T. Matzerath, T. Westen, und J. Groß. Dataset, (2021)Related to: Eller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of chemical physics, 154(24), 244106. doi: 10.1063/5.0051201.
T. Kobayashi, H. Kraus, N. Hansen, und M. Fyta. Dataset, (2021)Related to: Takeshi Kobayashi, Hamzeh Kraus, Niels Hansen and Maria Fyta, Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects, ChemCatChem 2021, 13, 739-746. doi: 10.1002/cctc.202001596.
D. Markthaler, H. Kraus, und N. Hansen. Dataset, (2022)Related to: D. Markthaler, H. Kraus, N. Hansen, Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. In: Journal of Computer-Aided Molecular Design (2022). doi: 10.1007/s10822-021-00439-w.
D. Markthaler, und N. Hansen. Dataset, (2021)Related to: D. Markthaler, N. Hansen, Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B. In: Data in Brief (2021), 107618. doi: 10.1016/j.dib.2021.107618.
T. Braun. Dataset, (2019)Related to: Braun, Thorsten: Rekonstruktion von Prüfungserfolgsbedingungen in der Technischen Thermodynamik mittels methodenintegrativem Design : Eine hochschuldidaktische Begleitforschung. Dissertation. University of Stuttgart, 2020 (expected year of publication).
R. Schäfer, S. Lott, J. Georg, B. Grüning, W. Hess, und B. Voß. Software, (2020)Related to: Lott, S. C.; Schäfer, R. A.; Mann, M.; Backofen, R.; Hess, W. R.; Voß, B.; Georg, J. (2018): GLASSgo - Automated and Reliable Detection of sRNA Homologs From a Single Input Sequence. In: Frontiers in Genetics, 9:124. doi: 10.3389/fgene.2018.00124.
A. Udoh, M. Speicher, und A. Klenk. Joint EPRI-123HiMAT International Conference on Advances in High-Temperature Materials, Seite 1123-1131. Materials Park, Ohio, ASM International, (2019)
F. Müller, M. Oechsner, M. Speicher, und A. Klenk. Joint EPRI-123HiMAT International Conference on Advances in High-Temperature Materials, Seite 546-557. Materials Park, Ohio, ASM International, (2019)
S. Joas, W. Essig, F. Fröhlich, und M. Kreutzbruck. Proceedings of the Europe/Africa Conference Dresden 2017 - Polymer Processing Society PPS, 2055, Seite 120003. Melville, New York, AIP Publishing, (2019)
A. Jüngert, M. Friedrich, M. Huang, A. Klenk, und S. Weihe. Proceedings of the ASME Pressure Vessels and Piping Conference - 2018, 5 : High-pressure technology; non-destructive evaluation, diagnosis and prognosis; Student Paper Symposium and Competition, Seite V005T09A010. New York, N.Y., The American Society of Mechanical Engineers, (2019)
J. Smiatek, N. Hansen, und J. Kästner. Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)