Publications of G. Groenhof
All genres
Journal Article (26)
Journal Article
351 (1-3), pp. 111 - 116 (2008)
Approximate switching algorithms for trajectory surface hopping. Chemical Physics
Journal Article
130 (11), pp. 3250 - 3251 (2008)
Arginine52 controls the photoisomerization process in photoactive yellow protein. Journal of the American Chemical Society
Journal Article
4 (3), e1000034 (2008)
Chromophore protonation state controls photoswitching of the fluoroprotein asFP595. PLoS Computational Biology
Journal Article
129 (21), pp. 6812 - 6819 (2007)
Ultrafast deactivation of an excited cytosine-guanine base pair in DNA. Journal of the American Chemical Society
Journal Article
46 (4), pp. 530 - 536 (2007)
Photoswitching of the fluorescent protein asFP595: Mechanism, proton pathways, and absorption spectra. Angewandte Chemie-International Edition
Journal Article
64 (3), pp. 700 - 710 (2006)
The planar conformation of a strained proline ring: A QM/MM study. Proteins Book Chapter (4)
Book Chapter
GROMEX: A scalable and versatile fast multipole method for biomolecular simulation. In: Software for Exascale Computing - SPPEXA 2016-2019, pp. 517 - 543 (Eds. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)
Book Chapter
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)
Book Chapter
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)
Book Chapter
Excited state dynamics in biomolecules. In: Handbook of molecular biophysics, pp. 93 - 128 (Ed. Bohr, H. G.). Wiley-VCH, Weinheim (2009)
Conference Paper (5)
Conference Paper
24 (Suppl. 1), p. 21 - 21 (2015)
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
Conference Paper
247, 29-PHYS, (2014)
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
Conference Paper
104 (Supplement 1), 2 Ed., p. 169A - 169A (2013)
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
Conference Paper
104 (Supplement 1), 2 Ed., p. 172A - 172A (2013)
Photoisomerization control mechanisms in protonated Schiff bases. 57th Annual Meeting of the Biophysical-Society, Philadelphia/PA, February 02, 2013 - February 06, 2013. Biophysical Journal
Conference Paper
40 (Suppl. 1), p. 110 - 110 (2011)
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 Meeting Abstract (1)
Meeting Abstract
279 (Supplement 1), p. 447 - 447. 22nd IUBMB Congress/37th FEBS Congress, Seville/Spain, September 04, 2012 - September 09, 2012. (2012)
Use of principal component analysis and molecular docking to identify novel selective plasmepsin II inhibitors. In FEBS Journal,