Hansen N - Search Results

1

Influence of ionic liquid film thickness and flow rate on macrocyclization efficiency and selectivity in supported ionic liquid-liquid phase catalysis.

Högler M, Kobayashi T, Kraus H, Atwi B, Buchmeiser MR, Fyta M, Hansen N. Högler M, et al. Among authors: hansen n. Chemistry. 2024 Nov 25:e202403237. doi: 10.1002/chem.202403237. Online ahead of print. Chemistry. 2024. PMID: 39585183

2

Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization.

Ziegler F, Teske J, Elser I, Dyballa M, Frey W, Kraus H, Hansen N, Rybka J, Tallarek U, Buchmeiser MR. Ziegler F, et al. Among authors: hansen n. J Am Chem Soc. 2019 Dec 4;141(48):19014-19022. doi: 10.1021/jacs.9b08776. Epub 2019 Nov 18. J Am Chem Soc. 2019. PMID: 31694374 Free article.

3

Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.

Markthaler D, Kraus H, Hansen N. Markthaler D, et al. Among authors: hansen n. J Comput Aided Mol Des. 2022 Jan;36(1):1-9. doi: 10.1007/s10822-021-00439-w. Epub 2022 Jan 3. J Comput Aided Mol Des. 2022. PMID: 34978001 Free PMC article.

4

Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain.

Markthaler D, Kraus H, Hansen N. Markthaler D, et al. Among authors: hansen n. J Chem Inf Model. 2018 Nov 26;58(11):2305-2318. doi: 10.1021/acs.jcim.8b00581. Epub 2018 Nov 5. J Chem Inf Model. 2018. PMID: 30339754 Free article.

5

Interpretation of Seemingly Contradictory Data: Low NMR S² Order Parameters Observed in Helices and High NMR S² Order Parameters in Disordered Loops of the Protein hGH at Low pH.

Smith LJ, Athill R, van Gunsteren WF, Hansen N. Smith LJ, et al. Among authors: hansen n. Chemistry. 2017 Jul 18;23(40):9585-9591. doi: 10.1002/chem.201700896. Epub 2017 Jun 27. Chemistry. 2017. PMID: 28503764

6

TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data.

Fleck M, Darouich S, Hansen N, Gross J. Fleck M, et al. Among authors: hansen n. J Phys Chem B. 2024 Oct 3;128(39):9544-9552. doi: 10.1021/acs.jpcb.4c04456. Epub 2024 Sep 18. J Phys Chem B. 2024. PMID: 39292815

7

Transferable Anisotropic Mie Potential Force Field for Alkanediols.

Fleck M, Darouich S, Hansen N, Gross J. Fleck M, et al. Among authors: hansen n. J Phys Chem B. 2024 May 16;128(19):4792-4801. doi: 10.1021/acs.jpcb.4c00962. Epub 2024 May 6. J Phys Chem B. 2024. PMID: 38709669

8

Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions.

Markthaler D, Zeman J, Baz J, Smiatek J, Hansen N. Markthaler D, et al. Among authors: hansen n. J Phys Chem B. 2017 Nov 30;121(47):10674-10688. doi: 10.1021/acs.jpcb.7b07774. Epub 2017 Nov 17. J Phys Chem B. 2017. PMID: 29091452

9

Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution.

Gebhardt J, Kleist C, Jakobtorweihen S, Hansen N. Gebhardt J, et al. Among authors: hansen n. J Phys Chem B. 2018 Feb 8;122(5):1608-1626. doi: 10.1021/acs.jpcb.7b11808. Epub 2018 Jan 24. J Phys Chem B. 2018. PMID: 29287148

10

Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment.

Grunenberg L, Keßler C, Teh TW, Schuldt R, Heck F, Kästner J, Groß J, Hansen N, Lotsch BV. Grunenberg L, et al. Among authors: hansen n. ACS Nano. 2024 Jun 25;18(25):16091-16100. doi: 10.1021/acsnano.3c12167. Epub 2024 Jun 11. ACS Nano. 2024. PMID: 38860455 Free PMC article.

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