Marx D - Search Results

1

Inverse temperature transition of a biomimetic elastin model: reactive flux analysis of folding/unfolding and its coupling to solvent dielectric relaxation.

Baer M, Schreiner E, Kohlmeyer A, Rousseau R, Marx D. Baer M, et al. Among authors: marx d. J Phys Chem B. 2006 Mar 2;110(8):3576-87. doi: 10.1021/jp054805a. J Phys Chem B. 2006. PMID: 16494413

2

Exploring the electronic structure of elemental lithium: from small molecules to nanoclusters, bulk metal, and surfaces.

Rousseau R, Marx D. Rousseau R, et al. Among authors: marx d. Chemistry. 2000 Aug 18;6(16):2982-93. doi: 10.1002/1521-3765(20000818)6:16<2982::aid-chem2982>3.0.co;2-s. Chemistry. 2000. PMID: 10993259

3

Pulling monatomic gold wires with single molecules: an Ab initio simulation.

Krüger D, Fuchs H, Rousseau R, Marx D, Parrinello M. Krüger D, et al. Among authors: marx d. Phys Rev Lett. 2002 Oct 28;89(18):186402. doi: 10.1103/PhysRevLett.89.186402. Epub 2002 Oct 10. Phys Rev Lett. 2002. PMID: 12398622

4

Fast anomalous diffusion of small hydrophobic species in water.

Kirchner B, Stubbs J, Marx D. Kirchner B, et al. Among authors: marx d. Phys Rev Lett. 2002 Nov 18;89(21):215901. doi: 10.1103/PhysRevLett.89.215901. Epub 2002 Nov 4. Phys Rev Lett. 2002. PMID: 12443432

5

Towards "mechanochemistry": mechanically induced isomerizations of thiolate-gold clusters.

Krüger D, Rousseau R, Fuchs H, Marx D. Krüger D, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2003 May 25;42(20):2251-3. doi: 10.1002/anie.200351000. Angew Chem Int Ed Engl. 2003. PMID: 12772154 No abstract available.

6

Temperature-dependent conformational transitions and hydrogen-bond dynamics of the elastin-like octapeptide GVG(VPGVG): a molecular-dynamics study.

Rousseau R, Schreiner E, Kohlmeyer A, Marx D. Rousseau R, et al. Among authors: marx d. Biophys J. 2004 Mar;86(3):1393-407. doi: 10.1016/S0006-3495(04)74210-1. Biophys J. 2004. PMID: 14990469 Free PMC article.

7

Folding and unfolding of an elastinlike oligopeptide: "inverse temperature transition," reentrance, and hydrogen-bond dynamics.

Schreiner E, Nicolini C, Ludolph B, Ravindra R, Otte N, Kohlmeyer A, Rousseau R, Winter R, Marx D. Schreiner E, et al. Among authors: marx d. Phys Rev Lett. 2004 Apr 9;92(14):148101. doi: 10.1103/PhysRevLett.92.148101. Epub 2004 Apr 7. Phys Rev Lett. 2004. PMID: 15089575

8

Quantum and thermal fluctuation effects on the photoabsorption spectra of clusters.

Della Sala F, Rousseau R, Görling A, Marx D. Della Sala F, et al. Among authors: marx d. Phys Rev Lett. 2004 May 7;92(18):183401. doi: 10.1103/PhysRevLett.92.183401. Epub 2004 May 7. Phys Rev Lett. 2004. PMID: 15169488

9

Assigning protonation patterns in water networks in bacteriorhodopsin based on computed IR spectra.

Rousseau R, Kleinschmidt V, Schmitt UW, Marx D. Rousseau R, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2004 Sep 13;43(36):4804-7. doi: 10.1002/anie.200453857. Angew Chem Int Ed Engl. 2004. PMID: 15366093 No abstract available.

10

Detaching thiolates from copper and gold clusters: which bonds to break?

Konôpka M, Rousseau R, Stich I, Marx D. Konôpka M, et al. Among authors: marx d. J Am Chem Soc. 2004 Sep 29;126(38):12103-11. doi: 10.1021/ja047946j. J Am Chem Soc. 2004. PMID: 15382946

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