Publikationen von G. Groenhof
Alle Typen
Zeitschriftenartikel (26)
21.
Zeitschriftenartikel
351 (1-3), S. 111 - 116 (2008)
Approximate switching algorithms for trajectory surface hopping. Chemical Physics 22.
Zeitschriftenartikel
130 (11), S. 3250 - 3251 (2008)
Arginine52 controls the photoisomerization process in photoactive yellow protein. Journal of the American Chemical Society 23.
Zeitschriftenartikel
4 (3), e1000034 (2008)
Chromophore protonation state controls photoswitching of the fluoroprotein asFP595. PLoS Computational Biology 24.
Zeitschriftenartikel
129 (21), S. 6812 - 6819 (2007)
Ultrafast deactivation of an excited cytosine-guanine base pair in DNA. Journal of the American Chemical Society 25.
Zeitschriftenartikel
46 (4), S. 530 - 536 (2007)
Photoswitching of the fluorescent protein asFP595: Mechanism, proton pathways, and absorption spectra. Angewandte Chemie-International Edition 26.
Zeitschriftenartikel
64 (3), S. 700 - 710 (2006)
The planar conformation of a strained proline ring: A QM/MM study. Proteins Buchkapitel (4)
27.
Buchkapitel
GROMEX: A scalable and versatile fast multipole method for biomolecular simulation. In: Software for Exascale Computing - SPPEXA 2016-2019, S. 517 - 543 (Hg. Bungartz, H.-J.; Reiz, S.; Uekermann, B.; Neumann, P.; Nagel, W. E.). Springer, Cham (2020)
28.
Buchkapitel
Introduction to QM/MM simulations. In: Biomolecular Simulations: Mehods and Protocols, S. 43 - 66 (Hg. Monticelli, L.; Salonen, E.). Humana Pr.; Springer, New York (2013)
29.
Buchkapitel
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, S. 181 - 212 (Hg. Sabin, J. R.; Braendas, E.; Canuto, S.). Elsevier, Amsterdam (2010)
30.
Buchkapitel
Excited state dynamics in biomolecules. In: Handbook of molecular biophysics, S. 93 - 128 (Hg. Bohr, H. G.). Wiley-VCH, Weinheim (2009)
Konferenzbeitrag (5)
31.
Konferenzbeitrag
24 (Suppl. 1), S. 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, 22. Juli 2015 - 25. Juli 2015. Protein Science 32.
Konferenzbeitrag
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, 16. März 2014 - 20. März 2014. Abstracts of papers - American Chemical Society 33.
Konferenzbeitrag
104 (Supplement 1), 2 Aufl., S. 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, 02. Februar 2013 - 06. Februar 2013. Biophysical Journal 34.
Konferenzbeitrag
104 (Supplement 1), 2 Aufl., S. 172A - 172A (2013)
Photoisomerization control mechanisms in protonated Schiff bases. 57th Annual Meeting of the Biophysical-Society, Philadelphia/PA, 02. Februar 2013 - 06. Februar 2013. Biophysical Journal 35.
Konferenzbeitrag
40 (Suppl. 1), S. 110 - 110 (2011)
New insights into the mechanism of mechanical regulation on thiol/disulfide exchange. 8th EBSA European Biophysics Congress, Budapest, Hungary, 23. August 2011 - 27. August 2011. European Biophysics Journal Meeting Abstract (1)
36.
Meeting Abstract
279 (Supplement 1), S. 447 - 447. 22nd IUBMB Congress/37th FEBS Congress, Seville/Spain, 04. September 2012 - 09. September 2012. (2012)
Use of principal component analysis and molecular docking to identify novel selective plasmepsin II inhibitors. In FEBS Journal,