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Journal Article (26)

  1. Journal Article
    Fabiano, E.; Groenhof, G.; Thiel, W.: Approximate switching algorithms for trajectory surface hopping. Chemical Physics 351 (1-3), pp. 111 - 116 (2008)
  2. Journal Article
    Groenhof, G.; Schaefer, L.; Boggio-Pasqua, M.; Grubmueller, H.; Robb, M. A.: Arginine52 controls the photoisomerization process in photoactive yellow protein. Journal of the American Chemical Society 130 (11), pp. 3250 - 3251 (2008)
  3. Journal Article
    Schaefer, L.; Groenhof, G.; Boggio-Pasqua, M.; Robb, M. A.; Grubmueller, H.: Chromophore protonation state controls photoswitching of the fluoroprotein asFP595. PLoS Computational Biology 4 (3), e1000034 (2008)
  4. Journal Article
    Groenhof, G.; Schaefer, L.; Boggio-Pasqua, M.; Goette, M.; Grubmueller, H.; Robb, M. A.: Ultrafast deactivation of an excited cytosine-guanine base pair in DNA. Journal of the American Chemical Society 129 (21), pp. 6812 - 6819 (2007)
  5. Journal Article
    Schaefer, L.; Groenhof, G.; Klingen, A. R.; Ullmann, G. M.; Boggio-Pasqua, M.; Robb, M. A.; Grubmueller, H.: Photoswitching of the fluorescent protein asFP595: Mechanism, proton pathways, and absorption spectra. Angewandte Chemie-International Edition 46 (4), pp. 530 - 536 (2007)
  6. Journal Article
    Donnini, S.; Groenhof, G.; Wierenga, R. K.; Juffer, A. H.: The planar conformation of a strained proline ring: A QM/MM study. Proteins 64 (3), pp. 700 - 710 (2006)

Book Chapter (3)

  1. Book Chapter
    Groenhof, G.: Introduction to QM/MM simulations. In: Biomolecular Simulations: Mehods and Protocols, pp. 43 - 66 (Eds. Monticelli, L.; Salonen, E.). Humana Pr.; Springer, New York (2013)
  2. Book Chapter
    Groenhof, G.; Boggio-Pasqua, M.; Schäfer, L. V.; Robb, M. A.: Computer simulations of photobiological processes: The effect of the protein environment. In: Combining quantum mechanics and molecular mechanics. Some recent progresses in QM/MM methods, pp. 181 - 212 (Eds. Sabin, J. R.; Braendas, E.; Canuto, S.). Elsevier, Amsterdam (2010)
  3. Book Chapter
    Groenhof, G.; Schaefer, L. V.; Boggio-Pasqua, M.; Robb, M. A.: Excited state dynamics in biomolecules. In: Handbook of molecular biophysics, pp. 93 - 128 (Ed. Bohr, H. G.). Wiley-VCH, Weinheim (2009)

Conference Paper (5)

  1. Conference Paper
    Flores, P. A. V.; Wolf, M. G.; Guerra, Y.; Pascual, I.; Florent, I.; Rudino, E.; Pascutti, P. G.; Pons, T.; Groenhof, G.: Use of principal component analysis and molecular docking to identify novel selective Plasmepsin II non-competitive inhibitors with antimalarial activity. 29th Annual Symposium of the Protein-Society, Barcelona/Spain, July 22, 2015 - July 25, 2015. Protein Science (2015)
  2. Conference Paper
    Groenhof, G.; Morozov, D.; Burmeister, C. F.; Vukovic, L.; Boggio-Pasqua, M.: Computer simulations of photochemistry in complex environments: Photo-isomerization and excitation energy transfer. 247th National Spring Meeting of the American-Chemical-Society (ACS), Dallas, TX, March 16, 2014 - March 20, 2014. Abstracts of papers - American Chemical Society (2014)
  3. Conference Paper
    Bennett, W. F. D.; Donnini, S.; Groenhof, G.; Tielemann, D. P.: Fatty acid aggregates simulated using constant pH molecular dynamics with a coarse-grained model. 57th Annual Meeting of the Biophysical-Society , Philadelphia/PA, February 02, 2013 - February 06, 2013. Biophysical Journal 104 (Supplement 1), p. 169A - 169A (2013)
  4. Conference Paper
    Vukovic, L.; Burmeister, C. F.; Kral, P.; Groenhof, G.: Photoisomerization control mechanisms in protonated Schiff bases. 57th Annual Meeting of the Biophysical-Society, Philadelphia/PA, February 02, 2013 - February 06, 2013. Biophysical Journal 104 (Supplement 1), p. 172A - 172A (2013)
  5. Conference Paper
    Li, W.; Edwards, S.; Graeter, F.; Groenhof, G.: New insights into the mechanism of mechanical regulation on thiol/disulfide exchange. 8th EBSA European Biophysics Congress, Budapest, Hungary, August 23, 2011 - August 27, 2011. European Biophysics Journal 40 (Suppl. 1), p. 110 - 110 (2011)

Meeting Abstract (1)

  1. Meeting Abstract
    Valiente, P. A.; Wolf, M. G.; Guerra, Y.; Sierra, Y.; Wacker, S.; Pascual, I.; Pons, T.; Groenhof, G.: Use of principal component analysis and molecular docking to identify novel selective plasmepsin II inhibitors. In FEBS Journal, 279 (Supplement 1), p. 447 - 447. 22nd IUBMB Congress/37th FEBS Congress, Seville/Spain, September 04, 2012 - September 09, 2012. (2012)
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