Baer M - Search Results

1

Conformational dynamics of minimal elastin-like polypeptides: the role of proline revealed by molecular dynamics and nuclear magnetic resonance.

Glaves R, Baer M, Schreiner E, Stoll R, Marx D. Glaves R, et al. Among authors: baer m. Chemphyschem. 2008 Dec 22;9(18):2759-65. doi: 10.1002/cphc.200800474. Chemphyschem. 2008. PMID: 18972488

2

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. J Phys Chem B. 2006 Mar 2;110(8):3576-87. doi: 10.1021/jp054805a. J Phys Chem B. 2006. PMID: 16494413

3

Spectral signatures of the pentagonal water cluster in bacteriorhodopsin.

Baer M, Mathias G, Kuo IF, Tobias DJ, Mundy CJ, Marx D. Baer M, et al. Chemphyschem. 2008 Dec 22;9(18):2703-7. doi: 10.1002/cphc.200800473. Chemphyschem. 2008. PMID: 19025752 No abstract available.

4

Potential proton-release channels in bacteriorhodopsin.

Chaumont A, Baer M, Mathias G, Marx D. Chaumont A, et al. Among authors: baer m. Chemphyschem. 2008 Dec 22;9(18):2751-8. doi: 10.1002/cphc.200800471. Chemphyschem. 2008. PMID: 19035376

5

Interfacial behavior of perchlorate versus chloride ions in aqueous solutions.

Baer MD, Kuo IF, Bluhm H, Ghosal S. Baer MD, et al. J Phys Chem B. 2009 Dec 3;113(48):15843-50. doi: 10.1021/jp9053154. J Phys Chem B. 2009. PMID: 19929011

6

Interpreting vibrational sum-frequency spectra of sulfur dioxide at the air/water interface: a comprehensive molecular dynamics study.

Baer M, Mundy CJ, Chang TM, Tao FM, Dang LX. Baer M, et al. J Phys Chem B. 2010 Jun 3;114(21):7245-9. doi: 10.1021/jp100310s. J Phys Chem B. 2010. PMID: 20446719

7

Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations.

Baer M, Marx D, Mathias G. Baer M, et al. Angew Chem Int Ed Engl. 2010 Sep 24;49(40):7346-9. doi: 10.1002/anie.201001672. Angew Chem Int Ed Engl. 2010. PMID: 20734366 No abstract available.

8

Assigning predissociation infrared spectra of microsolvated hydronium cations H3O(+)⋅(H2)n (n=0, 1, 2, 3) by ab initio molecular dynamics.

Baer M, Marx D, Mathias G. Baer M, et al. Chemphyschem. 2011 Jul 11;12(10):1906-15. doi: 10.1002/cphc.201000955. Epub 2011 Mar 16. Chemphyschem. 2011. PMID: 21413111

9

Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide.

Lessing J, Roy S, Reppert M, Baer M, Marx D, Jansen TL, Knoester J, Tokmakoff A. Lessing J, et al. Among authors: baer m. J Am Chem Soc. 2012 Mar 21;134(11):5032-5. doi: 10.1021/ja2114135. Epub 2012 Mar 7. J Am Chem Soc. 2012. PMID: 22356513 Free article.

10

Infrared Spectroscopy of Fluxional Molecules from (ab Initio) Molecular Dynamics: Resolving Large-Amplitude Motion, Multiple Conformations, and Permutational Symmetries.

Mathias G, Ivanov SD, Witt A, Baer MD, Marx D. Mathias G, et al. J Chem Theory Comput. 2012 Jan 10;8(1):224-34. doi: 10.1021/ct2006665. Epub 2011 Dec 19. J Chem Theory Comput. 2012. PMID: 26592883 No abstract available.

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