Recognizing Pitfalls in Virtual Screening: A Critical Review von Scior, Thomas, Bender, Andreas, Tresadern, Gary, Medina-Franco, José L, Martínez-Mayorga, Karina, Langer, Thierry, Cuanalo-Contreras, Karina, Agrafiotis, Dimitris K

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Accurate prediction of clinical stroke scales and improved biomarkers of motor impairment from robotic measurements von Agrafiotis, Dimitris K, Yang, Eric, Littman, Gary S, Byttebier, Geert, Dipietro, Laura, DiBernardo, Allitia, Chavez, Juan C, Rykman, Avrielle, McArthur, Kate, Hajjar, Karim, Lees, Kennedy R, Volpe, Bruce T, Krams, Michael, Krebs, Hermano I

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Robotic Measurement of Arm Movements After Stroke Establishes Biomarkers of Motor Recovery von KREBS, Hermano I, KRAMS, Michael, MCARTHUR, Kate, HAJJAR, Karim, LEES, Kennedy R, VOLPE, Bruce T, AGRAFIOTIS, Dimitris K, DIBERNARDO, Allitia, CHAVEZ, Juan C, LITTMAN, Gary S, YANG, Eric, BYTTEBIER, Geert, DIPIETRO, Laura, RYKMAN, Avrielle

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Fast determination of the optimal rotational matrix for macromolecular superpositions von Liu, Pu, Agrafiotis, Dimitris K, Theobald, Douglas L

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Stochastic proximity embedding von Agrafiotis, Dimitris K.

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Feature Selection for Structure−Activity Correlation Using Binary Particle Swarms von Agrafiotis, Dimitris K, Cedeño, Walter

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A QSAR Model of hERG Binding Using a Large, Diverse, and Internally Consistent Training Set von Seierstad, Mark, Agrafiotis, Dimitris K.

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A Self-Organizing Principle for Learning Nonlinear Manifolds von Agrafiotis, Dimitris K., Xu, Huafeng

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SAR Maps:  A New SAR Visualization Technique for Medicinal Chemists von Agrafiotis, Dimitris K, Shemanarev, Maxim, Connolly, Peter J, Farnum, Michael, Lobanov, Victor S

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A self-organizing algorithm for modeling protein loops von Liu, Pu, Zhu, Fangqiang, Rassokhin, Dmitrii N, Agrafiotis, Dimitris K

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Quantifying and visualizing site performance in clinical trials von Yang, Eric, O'Donovan, Christopher, Phillips, JodiLyn, Atkinson, Leone, Ghosh, Krishnendu, Agrafiotis, Dimitris K

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Risk-based Monitoring of Clinical Trials: An Integrative Approach von Agrafiotis, Dimitris K., Lobanov, Victor S., Farnum, Michael A., Yang, Eric, Ciervo, Joseph, Walega, Michael, Baumgart, Adam, Mackey, Aaron J.

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Combinatorial informatics in the post-genomics era von Agrafiotis, Dimitris K, Lobanov, Victor S, Salemme, F. Raymond

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Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss von Bonnet, Pascal, Agrafiotis, Dimitris K, Zhu, Fangqiang, Martin, Eric

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Calibration of an in-situ BEGe detector using semi-empirical and Monte Carlo techniques von Agrafiotis, K., Karfopoulos, K.L., Anagnostakis, M.J.

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Conformational Sampling of Bioactive Molecules:  A Comparative Study von Agrafiotis, Dimitris K, Gibbs, Alan C, Zhu, Fangqiang, Izrailev, Sergei, Martin, Eric

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Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator von Shanmugasundaram, Veerabahu, Bajorath, Jürgen, Christoffersen, Ralph E., Petke, James D., Howe, W. Jeffrey, Johnson, Mark A., Agrafiotis, Dimitris K., Lee, Pil, Kuhn, Leslie A., Goodwin, Jay T., Holloway, M. Katharine, Doman, Thompson N., Walters, W. Patrick, Schreyer, Suzanne, Medina-Franco, José L., Martinez-Mayorga, Karina, Restifo, Linda L.

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Xcellerate Investigator Portal: A New Web-Based Tool for Online Delivery of Central Laboratory Data, Reports, and Communications to Clinical Sites von Norton, Louis, Ciervo, Joseph, Lobanov, Victor S., Agrafiotis, Dimitris K.

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Scaffold Explorer: An Interactive Tool for Organizing and Mining Structure−Activity Data Spanning Multiple Chemotypes von Agrafiotis, Dimitris K, Wiener, John J. M

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A dimensional warehouse for integrating operational data from clinical trials von Farnum, Michael A, Mohanty, Lalit, Ashok, Mathangi, Konstant, Paul, Ciervo, Joseph, Lobanov, Victor S, Agrafiotis, Dimitris K

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