Detailed Analysis of Scoring Functions for Virtual Screening von Stahl, Martin, Rarey, Matthias

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Similarity searching in large combinatorial chemistry spaces von Rarey, M, Stahl, M

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Feature trees: a new molecular similarity measure based on tree matching von Rarey, M, Dixon, J S

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Searching substructures in fragment spaces von Ehrlich, H-C, Rarey, M

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Hydrogen placement in protein-ligand complexes under consideration of tautomerism von Bietz, S, Urbaczek, S, Rarey, M

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Docking of hydrophobic ligands with interaction-based matching algorithms von RAREY, M, KRAMER, B, LENGAUER, T

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Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking von Kramer, Bernd, Rarey, Matthias, Lengauer, Thomas

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FlexE: efficient molecular docking considering protein structure variations von Claussen, H, Buning, C, Rarey, M, Lengauer, T

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FlexX-Scan: Fast, structure-based virtual screening von Schellhammer, Ingo, Rarey, Matthias

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HYDEing the false positives – scoring for lead optimization von Schneider, N, Lange, G, Klein, R, Lemmen, C, Rarey, M

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Novel technologies for virtual screening von Lengauer, Thomas, Lemmen, Christian, Rarey, Matthias, Zimmermann, Marc

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Recore:  A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations von Maass, Patrick, Schulz-Gasch, Tanja, Stahl, Martin, Rarey, Matthias

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A Fast Flexible Docking Method using an Incremental Construction Algorithm von Rarey, Matthias, Kramer, Bernd, Lengauer, Thomas, Klebe, Gerhard

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Computational methods for biomolecular docking von Lengauer, Thomas, Rarey, Matthias

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Calirman, Claudia. Brazilian Art under Dictatorship: Antonio Manuel, Artur Barrio, and Cildo Meireles. Durham, NC: Duke UP, 2012. 232 pp. Appendix 1. Appendix 2. Notes. Bibliograph... von Rarey, M. F.

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The particle concept: placing discrete water molecules during protein-ligand docking predictions von Rarey, Matthias, Kramer, Bernd, Lengauer, Thomas

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Automated Drawing of Structural Molecular Formulas under Constraints von Fricker, Patrick C, Gastreich, Marcus, Rarey, Matthias

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Flexible docking under pharmacophore type constraints von Hindle, Sally A, Rarey, Matthias, Buning, Christian, Lengaue, Thomas

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The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources von Crass, T., Antes, I., Basekow, R., Bork, P., Buning, C., Christensen, M., Claußen, H., Ebeling, C., Ernst, P., Gailus-Durner, V., Glatting, K.-H., Gohla, R., Gößling, F., Grote, K., Heidtke, K., Herrmann, A., O'Keeffe, S., Kießlich, O., Kolibal, S., Korbel, J. O., Lengauer, T., Liebich, I., van der Linden, M., Luz, H., Meissner, K., von Mering, C., Mevissen, H.-T., Mewes, H.-W., Michael, H., Mokrejs, M., Müller, T., Pospisil, H., Rarey, M., Reich, J. G., Schneider, R., Schomburg, D., Schulze-Kremer, S., Schwarzer, K., Sommer, I., Springstubbe, S., Suhai, S., Thoppae, G., Vingron, M., Warfsmann, J., Werner, T., Wetzler, D., Wingender, E., Zimmer, R.

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Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention von Rarey, M, Kramer, B, Lengauer, T

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