Publications

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Fleishman, S.J., Whitehead, T.A., Strauch, E.-M., Corn, J.E., Qin, S., Zhou, H.-X., Mitchell, J.C., Demerdash, O.N.A., Takeda-Shitaka, M., Terashi, G., Moal, I.H., Li, X., Bates, P.A., Zacharias, M., Park, H., Ko, J.-su, Lee, H., Seok, C., Bourquard, T., Bernauer, J., Poupon, A., Azé, J., Soner, S., Ovali, S.K., Ozbek, P., Tal, N.B., Haliloglu, T., Hwang, H., Vreven, T., Pierce, B.G., Weng, Z., Pérez-Cano, L., Pons, C., Fernández-Recio, J., Jiang, F., Yang, F., Gong, X., Cao, L., Xu, X., Liu, B., Wang, P., Li, C., Wang, C., Robert, C.H., Guharoy, M., Liu, S., Huang, Y., Li, L., Guo, D., Chen, Y., Xiao, Y., London, N., Itzhaki, Z., Schueler-Furman, O., Inbar, Y., Potapov, V., Cohen, M., Schreiber, G., Tsuchiya, Y., Kanamori, E., Standley, D.M., Nakamura, H., Kinoshita, K., Driggers, C.M., Hall, R.G., Morgan, J.L., Hsu, V.L., Zhan, J., Yang, Y., Zhou, Y., Kastritis, P.L., Bonvin, A.M.J.J., Zhang, W., Camacho, C.J., Kilambi, K.P., Sircar, A., Gray, J.J., Ohue, M., Uchikoga, N., Matsuzaki, Y., Ishida, T., Akiyama, Y., Khashan, R., Bush, S., Fouches, D., Tropsha, A., Esquivel-Rodríguez, J., Kihara, D., Stranges, B.P., Jacak, R., Kuhlman, B., Huang, S.-Y., Zou, X., Wodak, S.J., Janin, J. & Baker, D. Community-wide assessment of protein-interface modeling suggests improvements to design methodology. Journal of molecular biology 414, 289-302 (2011).
Guallar, V., Jacobson, M., McDermott, A. & Friesner, R.A. Computational modeling of the catalytic reaction in triosephosphate isomerase. Journal of molecular biology 337, 227-39 (2004).
Pérez-Cano, L., Eliahoo, E., Lasker, K., Wolfson, H.J., Glaser, F., Manor, H., Bernadó, P. & Fernández-Recio, J. Conformational transitions in human translin enable nucleic acid binding. Nucleic acids research 41, 9956-66 (2013).
Guallar, V. & Friesner, R.A. Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study. Journal of the American Chemical Society 126, 8501-8 (2004).