Effect of molecular Stokes shift on polariton dynamics von Hulkko, E., Pikker, S., Tiainen, V., Tichauer, R. H., Groenhof, G., Toppari, J. J.

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Auger spectrum of a water molecule after single and double core ionization von Inhester, L., Burmeister, C. F., Groenhof, G., Grubmüller, H.

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Core hole screening and decay rates of double core ionized first row hydrides von Inhester, L, Groenhof, G, Grubmüller, H

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Erratum: “Core hole screening and decay rates of double core ionized first row hydrides” [J. Chem. Phys. 138, 164304 (2013)] von Inhester, L., Groenhof, G., Grubmüller, H.

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Erratum: “Auger spectrum of a water molecule after single and double core ionization” [J. Chem. Phys. 136, 144304 (2012)] von Inhester, L., Burmeister, C. F., Groenhof, G., Grubmüller, H.

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The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser von Claesson, Elin, Wahlgren, Weixiao Yuan, Takala, Heikki, Pandey, Suraj, Castillon, Leticia, Kuznetsova, Valentyna, Henry, Leocadie, Panman, Matthijs, Carrillo, Melissa, Kubel, Joachim, Nanekar, Rahul, Isaksson, Linnea, Nimmrich, Amke, Cellini, Andrea, Morozov, Dmitry, Maj, Michal, Kurttila, Moona, Bosman, Robert, Nango, Eriko, Tanaka, Rie, Tanaka, Tomoyuki, Fangjia, Luo, Iwata, So, Owada, Shigeki, Moffat, Keith, Groenhof, Gerrit, Stojkovic, Emina A., Ihalainen, Janne A., Schmidt, Marius, Westenhoff, Sebastian

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GROMACS: Fast, flexible, and free von Van Der Spoel, David, Lindahl, Erik, Hess, Berk, Groenhof, Gerrit, Mark, Alan E., Berendsen, Herman J. C.

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Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA von Groenhof, Gerrit, Schäfer, Lars V, Boggio-Pasqua, Martial, Goette, Maik, Grubmüller, Helmut, Robb, Michael A

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Serial femtosecond crystallography reveals that photoactivation in a fluorescent protein proceeds via the hula twist mechanism von Fadini, A, Hutchison, CDM, Morozov, D, Chang, J, Maghlaoui, K, Perrett, S, Luo, F, Kho, JCX, Romei, MG, Morgan, RML, Orr, CM, Cordon-Preciado, V, Fujiwara, T, Nuemket, N, Tosha, T, Tanaka, R, Owada, S, Tono, K, Iwata, S, Boxer, SG, Groenhof, G, Nango, E, Van Thor, JJ

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The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography von Edlund, Petra, Takala, Heikki, Claesson, Elin, Henry, Léocadie, Dods, Robert, Lehtivuori, Heli, Panman, Matthijs, Pande, Kanupriya, White, Thomas, Nakane, Takanori, Berntsson, Oskar, Gustavsson, Emil, Båth, Petra, Modi, Vaibhav, Roy-Chowdhury, Shatabdi, Zook, James, Berntsen, Peter, Pandey, Suraj, Poudyal, Ishwor, Tenboer, Jason, Kupitz, Christopher, Barty, Anton, Fromme, Petra, Koralek, Jake D., Tanaka, Tomoyuki, Spence, John, Liang, Mengning, Hunter, Mark S., Boutet, Sebastien, Nango, Eriko, Moffat, Keith, Groenhof, Gerrit, Ihalainen, Janne, Stojković, Emina A., Schmidt, Marius, Westenhoff, Sebastian

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Approximate switching algorithms for trajectory surface hopping von Fabiano, E., Groenhof, G., Thiel, W.

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Light-Induced Structural Changes in a Photosynthetic Reaction Center Caught by Laue Diffraction von Wöhri, Annemarie B., Katona, Gergely, Johansson, Linda C., Fritz, Emelie, Malmerberg, Erik, Andersson, Magnus, Vincent, Jonathan, Eklund, Mattias, Cammarata, Marco, Wulff, Michael, Davidsson, Jan, Groenhof, Gerrit, Neutze, Richard

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Hydrogen Bonding Controls Excited-State Decay of the Photoactive Yellow Protein Chromophore von Boggio-Pasqua, M, Robb, MA, Groenhof, G

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Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein von Pande, K., Hutchison, C. D. M., Groenhof, G., Aquila, A., Robinson, J. S., Tenboer, J., Basu, S., Boutet, S., DePonte, D. P., Liang, M., White, T. A., Zatsepin, N. A., Yefanov, O., Morozov, D., Oberthuer, D., Gati, C., Subramanian, G., James, D., Zhao, Y., Koralek, J., Brayshaw, J., Kupitz, C., Conrad, C., Roy-Chowdhury, S., Coe, J. D., Metz, M., Xavier, P. L., Grant, T. D., Koglin, J. E., Ketawala, G., Fromme, R.,  rajer, V., Henning, R., Spence, J. C. H., Ourmazd, A., Schwander, P., Weierstall, U., Frank, M., Fromme, P., Barty, A., Chapman, H. N., Moffat, K., van Thor, J. J., Schmidt, M.

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Signal transduction in the photoactive yellow protein. I. Photon absorption and the isomerization of the chromophore von Groenhof, Gerrit, Lensink, Marc F., Berendsen, Herman J. C., Snijders, Jaap G., Mark, Alan E.

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Gromex: A scalable and versatile fast multipole method for biomolecular simulation von Kohnke, B, Ullmann, T R, Beckmann, A, Kabadshow, I, Haensel, D, Morgenstern, L, Dobrev, P, Groenhof, G, Kutzner, C, Hess, Berk, Dachsel, H, Grubmüller, H

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Arginine52 controls the photoisomerization process in photoactive yellow protein von Groenhof, G, Schaefer, LV, Boggio-Pasqua, M, Grubmueller, H, Robb, MA

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Signal transduction in the photoactive yellow protein. II. Proton transfer initiates conformational changes von Groenhof, Gerrit, Lensink, Marc F., Berendsen, Herman J. C., Mark, Alan E.

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From fast light-activated processes in biomolecules to large-scale aggregation of membrane proteins: molecular dynamics simulations at different time and length scales von Schäfer, LV, Boggio-Pasqua, M, Groenhof, G, Grubmüller, H, Marrink, SJ, Robb, MA

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Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein von Pande, K, Hutchison, CDM, Groenhof, G, Aquila, A, Robinson, JS, Tenboer, J, Basu, S, Boutet, S, DePonte, DP, Liang, M, White, TA, Zatsepin, NA, Yefanov, O, Morozov, D, Oberthuer, D, Gati, C, Subramanian, G, James, D, Zhao, Y, Koralek, J, Brayshaw, J, Kupitz, C, Conrad, C, Roy-Chowdhury, S, Coe, JD, Metz, M, Xavier, PL, Grant, TD, Koglin, JE, Ketawala, G, Fromme, R, Šrajer, V, Henning, R, Spence, JCH, Ourmazd, A, Schwander, P, Weierstall, U, Frank, M, Fromme, P, Barty, A, Chapman, HN, Moffat, K, Van Thor, JJ, Schmidt, M

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