Hansen HS - Search Results

1

Conformational properties of glucose-based disaccharides investigated using molecular dynamics simulations with local elevation umbrella sampling.

Perić-Hassler L, Hansen HS, Baron R, Hünenberger PH. Perić-Hassler L, et al. Among authors: hansen hs. Carbohydr Res. 2010 Aug 16;345(12):1781-801. doi: 10.1016/j.carres.2010.05.026. Epub 2010 Jun 1. Carbohydr Res. 2010. PMID: 20576257

2

Using the local elevation method to construct optimized umbrella sampling potentials: calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water.

Hansen HS, Hünenberger PH. Hansen HS, et al. J Comput Chem. 2010 Jan 15;31(1):1-23. doi: 10.1002/jcc.21253. J Comput Chem. 2010. PMID: 19412904

3

A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers.

Hansen HS, Hünenberger PH. Hansen HS, et al. J Comput Chem. 2011 Apr 30;32(6):998-1032. doi: 10.1002/jcc.21675. Epub 2010 Nov 10. J Comput Chem. 2011. PMID: 21387332

4

Enhanced Conformational Sampling in Molecular Dynamics Simulations of Solvated Peptides: Fragment-Based Local Elevation Umbrella Sampling.

Hansen HS, Daura X, Hünenberger PH. Hansen HS, et al. J Chem Theory Comput. 2010 Sep 14;6(9):2598-621. doi: 10.1021/ct1003059. J Chem Theory Comput. 2010. PMID: 26616064

5

Ball-and-Stick Local Elevation Umbrella Sampling: Molecular Simulations Involving Enhanced Sampling within Conformational or Alchemical Subspaces of Low Internal Dimensionalities, Minimal Irrelevant Volumes, and Problem-Adapted Geometries.

Hansen HS, Hünenberger PH. Hansen HS, et al. J Chem Theory Comput. 2010 Sep 14;6(9):2622-46. doi: 10.1021/ct1003065. Epub 2010 Aug 26. J Chem Theory Comput. 2010. PMID: 26616065

6

Calculation of relative free energies for ligand-protein binding, solvation, and conformational transitions using the GROMOS software.

Riniker S, Christ CD, Hansen HS, Hünenberger PH, Oostenbrink C, Steiner D, van Gunsteren WF. Riniker S, et al. Among authors: hansen hs. J Phys Chem B. 2011 Nov 24;115(46):13570-7. doi: 10.1021/jp204303a. Epub 2011 Nov 1. J Phys Chem B. 2011. PMID: 22039957

7

A GROMOS Parameter Set for Vicinal Diether Functions: Properties of Polyethyleneoxide and Polyethyleneglycol.

Fuchs PF, Hansen HS, Hünenberger PH, Horta BA. Fuchs PF, et al. Among authors: hansen hs. J Chem Theory Comput. 2012 Oct 9;8(10):3943-63. doi: 10.1021/ct300245h. Epub 2012 Aug 8. J Chem Theory Comput. 2012. PMID: 26593032

8

Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex.

Satoh H, Hansen HS, Manabe S, van Gunsteren WF, Hünenberger PH. Satoh H, et al. Among authors: hansen hs. J Chem Theory Comput. 2010 Jun 8;6(6):1783-97. doi: 10.1021/ct1001347. J Chem Theory Comput. 2010. PMID: 26615839

9

Optimal lesion preparation before implantation of a Magmaris bioresorbable scaffold in patients with coronary artery stenosis: Rationale, design and methodology of the OPTIMIS study.

Hansen KN, Maehara A, Noori M, Trøan J, Fallesen CO, Hougaard M, Ellert-Gregersen J, Veien KT, Junker A, Hansen HS, Lassen JF, Jensen LO. Hansen KN, et al. Among authors: hansen hs. Contemp Clin Trials Commun. 2024 Feb 7;38:101260. doi: 10.1016/j.conctc.2024.101260. eCollection 2024 Apr. Contemp Clin Trials Commun. 2024. PMID: 38384894 Free PMC article.

10

Impact of postoperative cardiovascular complications on 30-day mortality after major abdominal surgery: an international prospective cohort study.

STARSurg Collaborative; EuroSurg Collaborative. STARSurg Collaborative, et al. Anaesthesia. 2024 Feb 2. doi: 10.1111/anae.16220. Online ahead of print. Anaesthesia. 2024. PMID: 38303634

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