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HDBind: encoding of molecular structure with hyperdimensional binary representations Jones, Derek; Zhang, Xiaohua; Bennion, Brian J.; Pinge, Sumukh; Xu, Weihong; Kang, Jaeyoung; Khaleghi, Behnam; Moshiri, Niema; Allen, Jonathan E.; Rosing, Tajana S. 分享 收藏
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Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method Stevenson, Garrett A.; Kirshner, Dan; Bennion, Brian J.; Yang, Yue; Zhang, Xiaohua; Zemla, Adam; Torres, Marisa W.; Epstein, Aidan; Jones, Derek; Kim, Hyojin; Bennett, W. F. Drew; Wong, Sergio E.; Allen, Jonathan E.; Lightstone, Felice C. 分享 收藏
Metagenomic Methods for Addressing NASA's Planetary Protection Policy Requirements on Future Missions: A Workshop Report 解决NASA未来任务行星保护政策要求的宏基因组方法: 研讨会报告 Green, Stefan J.; Torok, Tamas; Allen, Jonathan E.; Eloe-Fadrosh, Emiley; Jackson, Scott A.; Jiang, Sunny C.; Levine, Stuart S.; Levy, Shawn; Schriml, Lynn M.; Thomas, W. Kelley; Wood, Jason M.; Tighe, Scott W. 分享 收藏
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Multiple Mutations Associated with Emergent Variants Can Be Detected as Low-Frequency Mutations in Early SARS-CoV-2 Pandemic Clinical Samples Kimbrel, Jeffrey; Moon, Joseph; Avila-Herrera, Aram; Marti, Jose Manuel; Thissen, James; Mulakken, Nisha; Sandholtz, Sarah H.; Ferrell, Tyshawn; Daum, Chris; Hall, Sara; Segelke, Brent; Arrildt, Kathryn T.; Messenger, Sharon; Wadford, Debra A.; Jaing, Crystal; Allen, Jonathan E.; Borucki, Monica K. 分享 收藏
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A cross-study analysis of drug response prediction in cancer cell lines 癌细胞系药物反应预测的交叉研究分析 Xia, Fangfang; Allen, Jonathan; Balaprakash, Prasanna; Brettin, Thomas; Garcia-Cardona, Cristina; Clyde, Austin; Cohn, Judith; Doroshow, James; Duan, Xiaotian; Dubinkina, Veronika; Evrard, Yvonne; Fan, Ya Ju; Gans, Jason; He, Stewart; Lu, Pinyi; Maslov, Sergei; Partin, Alexander; Shukla, Maulik; Stahlberg, Eric; Wozniak, Justin M.; Yoo, Hyunseung; Zaki, George; Zhu, Yitan; Stevens, Rick 分享 收藏
Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline Lau, Edmond Y.; Negrete, Oscar A.; Bennett, W. F. Drew; Bennion, Brian J.; Borucki, Monica; Bourguet, Feliza; Epstein, Aidan; Franco, Magdalena; Harmon, Brooke; He, Stewart; Jones, Derek; Kim, Hyojin; Kirshner, Daniel; Lao, Victoria; Lo, Jacky; McLoughlin, Kevin; Mosesso, Richard; Murugesh, Deepa K.; Saada, Edwin A.; Segelke, Brent; Stefan, Maxwell A.; Stevenson, Garrett A.; Torres, Marisa W.; Weilhammer, Dina R.; Wong, Sergio; Yang, Yue; Zemla, Adam; Zhang, Xiaohua; Zhu, Fangqiang; Allen, Jonathan E.; Lightstone, Felice C. 分享 收藏
Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models 通过生成模型的可扩展深度学习实现快速新型冠状病毒肺炎小分子药物设计 Jacobs, Sam Ade; Moon, Tim; McLoughlin, Kevin; Jones, Derek; Hysom, David; Ahn, Dong H.; Gyllenhaal, John; Watson, Pythagoras; Lightstone, Felice C.; Allen, Jonathan E.; Karlin, Ian; Van Essen, Brian 分享 收藏
Improved Protein-Ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference Jones, Derek; Kim, Hyojin; Zhang, Xiaohua; Zemla, Adam; Stevenson, Garrett; Bennett, W. F. Drew; Kirshner, Daniel; Wong, Sergio E.; Lightstone, Felice C.; Allen, Jonathan E. 分享 收藏
Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump McLoughlin, Kevin S.; Jeong, Claire G.; Sweitzer, Thomas D.; Minnich, Amanda J.; Tse, Margaret J.; Bennion, Brian J.; Allen, Jonathan E.; Calad-Thomson, Stacie; Rush, Thomas S.; Brase, James M. 分享 收藏
Two Sides of a Coin: a Zika Virus Mutation Selected in Pregnant Rhesus Macaques Promotes Fetal Infection in Mice but at a Cost of Reduced Fitness in Nonpregnant Macaques and Diminished Transmissibility by Vectors Lemos, Danilo; Stuart, Jackson B.; Louie, William; Singapuri, Anil; Ramirez, Ana L.; Watanabe, Jennifer; Usachenko, Jodie; Keesler, Rebekah, I; Sanchez-San Martin, Claudia; Li, Tony; Martyn, Calla; Oliveira, Glenn; Saraf, Sharada; Grubaugh, Nathan D.; Andersen, Kristian G.; Thissen, James; Allen, Jonathan; Borucki, Monica; Tsetsarkin, Konstantin A.; Pletnev, Alexander G.; Chiu, Charles Y.; Van Rompay, Koen K. A.; Coffey, Lark L. 分享 收藏
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AMPL: A Data-Driven Modeling Pipeline for Drug Discovery Minnich, Amanda J.; McLoughlin, Kevin; Tse, Margaret; Deng, Jason; Weber, Andrew; Murad, Neha; Madej, Benjamin D.; Ramsundar, Bharath; Rush, Tom; Calad-Thomson, Stacie; Brase, Jim; Allen, Jonathan E. 分享 收藏
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