GROMACS: fast, flexible, and free D Van Der Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, ... Journal of computational chemistry 26 (16), 1701-1718, 2005 | 16324 | 2005 |
GROMACS: fast, flexible, and free DVD Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, HJC Berendsen J Comput Chem 26 (16), 1701-1718, 2005 | 1848 | 2005 |
Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein K Pande, CDM Hutchison, G Groenhof, A Aquila, JS Robinson, J Tenboer, ... Science 352 (6286), 725-729, 2016 | 441 | 2016 |
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation MG Wolf, M Hoefling, C Aponte‐Santamaría, H Grubmüller, G Groenhof Journal of computational chemistry 31 (11), 2169-2174, 2010 | 388 | 2010 |
Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis isomerization of the chromophore in the protein G Groenhof, M Bouxin-Cademartory, B Hess, SP De Visser, ... Journal of the American Chemical Society 126 (13), 4228-4233, 2004 | 321 | 2004 |
Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge JS Hub, BL De Groot, H Grubmüller, G Groenhof Journal of chemical theory and computation 10 (1), 381-390, 2014 | 237 | 2014 |
Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser D Arnlund, LC Johansson, C Wickstrand, A Barty, GJ Williams, ... Nature methods 11 (9), 923-926, 2014 | 209 | 2014 |
Constant pH molecular dynamics in explicit solvent with λ-dynamics S Donnini, F Tegeler, G Groenhof, H Grubmüller Journal of chemical theory and computation 7 (6), 1962-1978, 2011 | 202 | 2011 |
Ultrafast deactivation of an excited cytosine− guanine base pair in DNA G Groenhof, LV Schäfer, M Boggio-Pasqua, M Goette, H Grubmüller, ... Journal of the American Chemical Society 129 (21), 6812-6819, 2007 | 185 | 2007 |
Introduction to QM/MM simulations G Groenhof Biomolecular simulations: methods and protocols, 43-66, 2013 | 169 | 2013 |
Multiscale molecular dynamics simulations of polaritonic chemistry HL Luk, J Feist, JJ Toppari, G Groenhof Journal of chemical theory and computation 13 (9), 4324-4335, 2017 | 157 | 2017 |
Ultrafast deactivation channel for thymine dimerization M Boggio-Pasqua, G Groenhof, LV Schäfer, H Grubmüller, MA Robb Journal of the American Chemical Society 129 (36), 10996-10997, 2007 | 155 | 2007 |
Photoswitching of the fluorescent protein asFP595: mechanism, proton pathways, and absorption spectra L Schäfer, G Groenhof, AR Klingen, GM Ullmann, M Boggio-Pasqua, ... Angewandte Chemie-International Edition 46 (4), 530-536, 2007 | 137 | 2007 |
Tracking polariton relaxation with multiscale molecular dynamics simulations G Groenhof, C Climent, J Feist, D Morozov, JJ Toppari The journal of physical chemistry letters 10 (18), 5476-5483, 2019 | 136 | 2019 |
Light-induced structural changes in a photosynthetic reaction center caught by Laue diffraction AB Wöhri, G Katona, LC Johansson, E Fritz, E Malmerberg, M Andersson, ... science 328 (5978), 630-633, 2010 | 125 | 2010 |
Chromophore protonation state controls photoswitching of the fluoroprotein asFP595 LV Schäfer, G Groenhof, M Boggio-Pasqua, MA Robb, H Grubmüller PLoS Computational Biology 4 (3), e1000034, 2008 | 121 | 2008 |
GROMACS: fast, flexible, and free H Berendsen, B Hess, E Lindahl, D Van Der Spoel, AE Mark, G Groenhof J. Comput. Chem 26 (16), 1701-1718, 2005 | 111 | 2005 |
Arginine52 controls the photoisomerization process in photoactive yellow protein G Groenhof, LV Schäfer, M Boggio-Pasqua, H Grubmüller, MA Robb Journal of the American Chemical Society 130 (11), 3250-3251, 2008 | 100 | 2008 |
The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser E Claesson, WY Wahlgren, H Takala, S Pandey, L Castillon, ... Elife 9, e53514, 2020 | 96 | 2020 |
Hydrogen bonding controls excited-state decay of the photoactive yellow protein chromophore M Boggio-Pasqua, MA Robb, G Groenhof Journal of the American Chemical Society 131 (38), 13580-13581, 2009 | 94 | 2009 |