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  1. Article

    Open Access

    AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection

    Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental te...

    Austin Clyde, Xuefeng Liu, Thomas Brettin, Hyunseung Yoo in Scientific Reports (2023)

  2. Article

    Open Access

    Publisher Correction: Converting tabular data into images for deep learning with convolutional neural networks

    Yitan Zhu, Thomas Brettin, Fangfang **a, Alexander Partin in Scientific Reports (2021)

  3. Article

    Open Access

    Converting tabular data into images for deep learning with convolutional neural networks

    Convolutional neural networks (CNNs) have been successfully used in many applications where important information about data is embedded in the order of features, such as speech and imaging. However, most tabu...

    Yitan Zhu, Thomas Brettin, Fangfang **a, Alexander Partin in Scientific Reports (2021)

  4. Article

    Open Access

    Learning curves for drug response prediction in cancer cell lines

    Motivated by the size and availability of cell line drug sensitivity data, researchers have been develo** machine learning (ML) models for predicting drug response to advance cancer treatment. As drug sensit...

    Alexander Partin, Thomas Brettin, Yvonne A. Evrard, Yitan Zhu in BMC Bioinformatics (2021)

  5. Article

    Open Access

    Ensemble transfer learning for the prediction of anti-cancer drug response

    Transfer learning, which transfers patterns learned on a source dataset to a related target dataset for constructing prediction models, has been shown effective in many applications. In this paper, we investig...

    Yitan Zhu, Thomas Brettin, Yvonne A. Evrard, Alexander Partin in Scientific Reports (2020)

  6. Article

    Open Access

    KBase: The United States Department of Energy Systems Biology Knowledgebase

    Adam P Arkin, Robert W Cottingham, Christopher S Henry in Nature Biotechnology (2018)

  7. Article

    Open Access

    Develo** an in silico minimum inhibitory concentration panel test for Klebsiella pneumoniae

    Antimicrobial resistant infections are a serious public health threat worldwide. Whole genome sequencing approaches to rapidly identify pathogens and predict antibiotic resistance phenotypes are becoming more ...

    Marcus Nguyen, Thomas Brettin, S. Wesley Long, James M. Musser in Scientific Reports (2018)

  8. Article

    Erratum to: Evaluation of the efficacy of a pre-pandemic H5N1 vaccine (MG1109) in mouse and ferret models

    Min-Suk Song, Ho-** Moon, Hyeok-il Kwon in Journal of Microbiology (2012)

  9. Article

    Evaluation of the efficacy of a pre-pandemic H5N1 vaccine (MG1109) in mouse and ferret models

    The threat of a highly pathogenic avian influenza (HPAI) H5N1 virus causing the next pandemic remains a major concern. In this study, we evaluated the immunogenicity and efficacy of an inactivated whole-virus ...

    Min-Suk Song, Ho-** Moon, Hyeok-il Kwon in Journal of Microbiology (2012)