Kinome-Wide Virtual Screening by Multi-Task Deep Learning von Hu, Jiaming, Allen, Bryce K, Stathias, Vasileios, Ayad, Nagi G, Schürer, Stephan C

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Rigorous Free Energy Simulations in Virtual Screening von Cournia, Zoe, Allen, Bryce K, Beuming, Thijs, Pearlman, David A, Radak, Brian K, Sherman, Woody

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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery von Lee, Tai-Sung, Allen, Bryce K, Giese, Timothy J, Guo, Zhenyu, Li, Pengfei, Lin, Charles, McGee, T. Dwight, Pearlman, David A, Radak, Brian K, Tao, Yujun, Tsai, Hsu-Chun, Xu, Huafeng, Sherman, Woody, York, Darrin M

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Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations von Allen, Bryce K, Mehta, Saurabh, Ember, Stuart W. J, Zhu, Jin-Yi, Schönbrunn, Ernst, Ayad, Nagi G, Schürer, Stephan C

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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials von Lee, Tai-Sung, Lin, Zhixiong, Allen, Bryce K, Lin, Charles, Radak, Brian K, Tao, Yujun, Tsai, Hsu-Chun, Sherman, Woody, York, Darrin M

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Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response data von Koleti, Amar, Terryn, Raymond, Stathias, Vasileios, Chung, Caty, Cooper, Daniel J, Turner, John P, Vidović, Dušica, Forlin, Michele, Kelley, Tanya T, D'Urso, Alessandro, Allen, Bryce K, Torre, Denis, Jagodnik, Kathleen M, Wang, Lily, Jenkins, Sherry L, Mader, Christopher, Niu, Wen, Fazel, Mehdi, Mahi, Naim, Pilarczyk, Marcin, Clark, Nicholas, Shamsaei, Behrouz, Meller, Jarek, Vasiliauskas, Juozas, Reichard, John, Medvedovic, Mario, Ma'ayan, Avi, Pillai, Ajay, Schürer, Stephan C

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Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences von Li, Pengfei, Li, Zhijie, Wang, Yu, Dou, Huaixia, Radak, Brian K, Allen, Bryce K, Sherman, Woody, Xu, Huafeng

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Large-Scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4 von Allen, Bryce K., Mehta, Saurabh, Ember, Stewart W. J., Schonbrunn, Ernst, Ayad, Nagi, Schürer, Stephan C.

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Epigenetic Pathways and Glioblastoma Treatment: Insights From Signaling Cascades von Allen, Bryce K., Stathias, Vasileios, Maloof, Marie E., Vidovic, Dusica, Winterbottom, Emily F., Capobianco, Anthony J., Clarke, Jennifer, Schurer, Stephan, Robbins, David J., Ayad, Nagi G.

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Comprehensive Analysis of Tissue-wide Gene Expression and Phenotype Data Reveals Tissues Affected in Rare Genetic Disorders von Feiglin, Ariel, Allen, Bryce K., Kohane, Isaac S., Kong, Sek Won

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alchemlyb: the simple alchemistry library von Wu, Zhiyi, Dotson, David L., Alibay, Irfan, Allen, Bryce K., Barhaghi, Mohammad Soroush, Hénin, Jérôme, Joseph, Thomas T., Kenney, Ian M., Lee, Hyungro, Li, Haoxi, Lim, Victoria, Liu, Shuai, Marson, Domenico, Merz, Pascal T., Schlaich, Alexander, Mobley, David, Shirts, Michael R., Beckstein, Oliver

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Abstract LB-A20: True small molecule STING agonist generates systemic and potent anti-tumor immunity required for effective cancer immunotherapy von Kulkarni, Meghana M, Dwight, Timothy, Marino, Kristen, Allen, Bryce K, Taimi, Mohammed, Bastos, Cecilia, Lai, Sujen, Koh, Cheryl, Samant, Ramya, Tesar, Bethany, Huang, Huang, Chamberlain, Brian, Rice, James M, Tan, Dazhi, Lin, Zhixiong, Shechter, Sharon, Li, Stella, Sparks, Sam, Soutter, Holly, Swann, Steven, Sherman, Woody, Winter, Christopher

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CYCLIN DEPENDENT KINASE DEGRADERS AND METHODS OF USE THEREOF von ALLEN, Bryce K, DWIGHT, Timothy A

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CYCLIN DEPENDENT KINASE DEGRADERS AND METHODS OF USE THEREOF von ALLEN, Bryce K, DWIGHT, Timothy A

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OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE von SHERMAN, Woody, RICE, James M, KULKARNI, Meghana M, LIN, Zhixiong, MARINO, Kristen A, SHECHTER, Sharon, ALLEN, Bryce K, TAN, Dazhi, CHAMBERLAIN, Brian T, JERNIGAN, III, Finith E

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Oxoacridinyl acetic acid derivatives and methods of use von Chamberlain, Brian T, Tan, Dazhi, Rice, James M, Shechter, Sharon, Marino, Kristen A, Lin, Zhixiong, Jernigan, III, Finith E, Allen, Bryce K, Sherman, Woody, Kulkarni, Meghana M

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BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE von HUANG, Huang, SWANN, Steven, NIU, Deqiang, KULKARNI, Meghana M, LIN, Zhixiong, MARINO, Kristen A, ALLEN, Bryce K, SHECHTER, Sharon, CHAMBERLAIN, Brian T, DWIGHT, Timothy A

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OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE von HUANG, Huang, SWANN, Steven, NIU, Deqiang, LIN, Zhixiong, MARINO, Kristen A, ALLEN, Bryce K, SHECHTER, Sharon, CHAMBERLAIN, Brian T, DWIGHT, Timothy A

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Oxoacridinyl acetic acid derivatives and methods of use von SHERMAN, Woody, RICE, James M, KULKARNI, Meghana M, LIN, Zhixiong, MARINO, Kristen A, JERNIGAN III, Finith E, SHECHTER, Sharon, ALLEN, Bryce K, TAN, Dazhi, CHAMBERLAIN, Brian T

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BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE von HUANG, Huang, SWANN, Steven, NIU, Deqiang, KULKARNI, Meghana M, LIN, Zhixiong, MARINO, Kristen A, ALLEN, Bryce K, SHECHTER, Sharon, CHAMBERLAIN, Brian T, DWIGHT, Timothy A

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