Ultrahigh resolution drug design I: Details of interactions in human aldose reductase-inhibitor complex at 0.66 Å von Howard, E.I., Sanishvili, R., Cachau, R.E., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T.R., Joachimiak, A., Podjarny, A.

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Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research von de la Iglesia, D, Cachau, R E, García-Remesal, M, Maojo, V

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Structure and Inhibition of Plasmepsin II, a Hemoglobin-Degrading Enzyme from Plasmodium falciparum von Silva, A. M., Lee, A. Y., Gulnik, S. V., Majer, P., Collins, J., Bhat, T. N., Collins, P. J., Cachau, R. E., Luker, K. E., Gluzman, I. Y., Francis, S. E., Oksman, A., Goldberg, D. E., Erickson, J. W.

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Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding von Podjarny, A, Cachau, R E, Schneider, T, Van Zandt, M, Joachimiak, A

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Crystal Structures of Native and Inhibited Forms of Human Cathepsin D: Implications for Lysosomal Targeting and Drug Design von Baldwin, Eric T., Bhat, T. Narayana, Gulnik, Sergei, Hosur, Madhusoodan V., Sowder, Raymond C., Cachau, Raul E., Collins, Jack, Silva, Abelardo M., Erickson, John W.

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Ink-Jet Printer Heads for Ultra-Small-Drop Protein Crystallography von Howard, E.I, Cachau, R.E

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High-resolution crystallography and drug design von Cachau, R. E., Podjarny, A. D.

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Nanoinformatics: developing new computing applications for nanomedicine von Maojo, Victor, Fritts, Martin, Martin-Sanchez, Fernando, De la Iglesia, Diana, Cachau, Raul E., Garcia-Remesal, Miguel, Crespo, Jose, Mitchell, Joyce A., Anguita, Alberto, Baker, Nathan, Barreiro, Jose Maria, Benitez, Sonia E., De la Calle, Guillermo, Facelli, Julio C., Ghazal, Peter, Geissbuhler, Antoine, Gonzalez-Nilo, Fernando, Graf, Norbert, Grangeat, Pierre, Hermosilla, Isabel, Hussein, Rada, Kern, Josipa, Koch, Sabine, Legre, Yannick, Lopez-Alonso, Victoria, Lopez-Campos, Guillermo, Milanesi, Luciano, Moustakis, Vassilis, Munteanu, Cristian, Otero, Paula, Pazos, Alejandro, Perez-Rey, David, Potamias, George, Sanz, Ferran, Kulikowski, Casimir

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Identification of Critical Residues of an Immunodominant Region of Echinococcus granulosus Antigen B von González-Sapienza, Gualberto, Cachau, Raul E.

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Inhibition and catalytic mechanism of HIV-1 aspartic protease von Silva, Abelardo M., Cachau, Raúl E., Sham, Hing L., Erickson, John W.

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The nonplanarity of the peptide group: Molecular dynamics simulations with a polarizable two-state model for the peptide bond von Rick, Steven W., Cachau, R. E.

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Ion channels in icosahedral virus: a comparative analysis of the structures and binding sites at their fivefold axes von Kalko, S.G., Cachau, R.E., Silva, A.M.

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Nanoinformatics: a new area of research in nanomedicine von Maojo, Victor, Fritts, Martin, de la Iglesia, Diana, Cachau, Raul E, Garcia-Remesal, Miguel, Mitchell, Joyce A, Kulikowski, Casimir

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Novel procedure for structure refinement in homology modeling and its application to the human class Mu glutathione S-transferases von Cachau, Raúl E., Erickson, John W., Villar, Hugo O.

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QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate von Grigorenko, Bella L., Nemukhin, Alexander V., Topol, Igor A., Cachau, Raul E., Burt, Stanley K.

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Ion Channels in Southern Bean Mosaic Virus Capsid von Silva, Abelardo M., Cachau, Raul E., Goldstein, Daniel J.

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Quantum chemical modeling of the GTP hydrolysis by the RAS–GAP protein complex von Topol, Igor A, Cachau, Raul E, Nemukhin, Alexander V, Grigorenko, Bella L, Burt, Stanley K

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Quantum Chemical Modeling of Reaction Mechanism for 2-Oxoglutarate Dependent Enzymes:  Effect of Substitution of Iron by Nickel and Cobalt von Topol, Igor A., Nemukhin, Alexander V., Salnikow, Konstantin, Cachau, Raul E., Abashkin, Yuri G., Kasprzak, Kazimierz S., Burt, Stanley K.

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Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment von DENIS, Pablo A, KIENINGER, Martina, VENTURA, Oscar N, CACHAU, Raul E, DIERCKSEN, Geerd H. F

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Molecular dynamics simulations of water using a floating polynomial force field and an interpolating electrostatic field representation von Cachau, Rau´l E.

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