Recognizing Pitfalls in Virtual Screening: A Critical Review
Scior, Thomas, Bender, Andreas, Tresadern, Gary, Medina-Franco, José L, Martínez-Mayorga, Karina, Langer, Thierry, Cuanalo-Contreras, Karina, Agrafiotis, Dimitris K
Published in Journal of chemical information and modeling (23.04.2012)
Published in Journal of chemical information and modeling (23.04.2012)
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Journal Article
Accurate prediction of clinical stroke scales and improved biomarkers of motor impairment from robotic measurements
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
Published in PloS one (29.01.2021)
Published in PloS one (29.01.2021)
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Journal Article
Robotic Measurement of Arm Movements After Stroke Establishes Biomarkers of Motor Recovery
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
Published in Stroke (1970) (01.01.2014)
Published in Stroke (1970) (01.01.2014)
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Journal Article
Fast determination of the optimal rotational matrix for macromolecular superpositions
Liu, Pu, Agrafiotis, Dimitris K, Theobald, Douglas L
Published in Journal of computational chemistry (01.05.2010)
Published in Journal of computational chemistry (01.05.2010)
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Journal Article
SAR Maps: A New SAR Visualization Technique for Medicinal Chemists
Agrafiotis, Dimitris K, Shemanarev, Maxim, Connolly, Peter J, Farnum, Michael, Lobanov, Victor S
Published in Journal of medicinal chemistry (29.11.2007)
Published in Journal of medicinal chemistry (29.11.2007)
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Journal Article
A Self-Organizing Principle for Learning Nonlinear Manifolds
Agrafiotis, Dimitris K., Xu, Huafeng
Published in Proceedings of the National Academy of Sciences - PNAS (10.12.2002)
Published in Proceedings of the National Academy of Sciences - PNAS (10.12.2002)
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Journal Article
A self-organizing algorithm for modeling protein loops
Liu, Pu, Zhu, Fangqiang, Rassokhin, Dmitrii N, Agrafiotis, Dimitris K
Published in PLoS computational biology (01.08.2009)
Published in PLoS computational biology (01.08.2009)
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Journal Article
Risk-based Monitoring of Clinical Trials: An Integrative Approach
Agrafiotis, Dimitris K., Lobanov, Victor S., Farnum, Michael A., Yang, Eric, Ciervo, Joseph, Walega, Michael, Baumgart, Adam, Mackey, Aaron J.
Published in Clinical therapeutics (01.07.2018)
Published in Clinical therapeutics (01.07.2018)
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Journal Article
Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss
Bonnet, Pascal, Agrafiotis, Dimitris K, Zhu, Fangqiang, Martin, Eric
Published in Journal of Chemical Information and Modeling (26.10.2009)
Published in Journal of Chemical Information and Modeling (26.10.2009)
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Journal Article
Conformational Sampling of Bioactive Molecules: A Comparative Study
Agrafiotis, Dimitris K, Gibbs, Alan C, Zhu, Fangqiang, Izrailev, Sergei, Martin, Eric
Published in Journal of chemical information and modeling (01.05.2007)
Published in Journal of chemical information and modeling (01.05.2007)
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Journal Article
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator
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.
Published in Journal of computer-aided molecular design (01.09.2022)
Published in Journal of computer-aided molecular design (01.09.2022)
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Journal Article
A dimensional warehouse for integrating operational data from clinical trials
Farnum, Michael A, Mohanty, Lalit, Ashok, Mathangi, Konstant, Paul, Ciervo, Joseph, Lobanov, Victor S, Agrafiotis, Dimitris K
Published in Database : the journal of biological databases and curation (2019)
Published in Database : the journal of biological databases and curation (2019)
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Journal Article
Chemistry, information and Frank: a tribute to Frank Brown
Agrafiotis, Dimitris K., Holloway, M. Katharine, Johnson, Scott Arne, Reynolds, Charles H., Stouch, Terry Richard, Tropsha, Alexander, Waller, Chris L.
Published in Journal of computer-aided molecular design (01.07.2018)
Published in Journal of computer-aided molecular design (01.07.2018)
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Journal Article