Pullhead device and method of use von Baumgartner, Clinton J, Gillard, Jason M, Skogen, Nick P, Ellingson, Jeremy R, Hilsman, Russell H, Baumgartner, Travis J

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PULLHEAD DEVICE AND METHOD OF USE von Baumgartner, Clinton J, Gillard, Jason M, Skogen, Nick P, Ellingson, Jeremy R, Hilsman, Russell H, Baumgartner, Travis J

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Pullhead device and method of use von Baumgartner, Clinton J, Gillard, Jason M, Skogen, Nick P, Ellingson, Jeremy R, Hilsman, Russell H, Baumgartner, Travis J

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PULLHEAD DEVICE AND METHOD OF USE von Hilsman Russell H, Gillard Jason M, Skogen Nick P, Baumgartner Clinton J, Ellingson Jeremy R, Baumgartner Travis J

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PULLHEAD DEVICE AND METHOD FOR USE von SKOGEN, NICK P, GILLARD, JASON M, HILSMAN, RUSSELL H, BAUMGARTNER, TRAVIS J, ELLINGSON, JEREMY R, BAUMGARTNER, CLINTON J

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Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding? von Evangelista Falcon, Wilfredo, Ellingson, Sally R, Smith, Jeremy C, Baudry, Jerome

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Ensemble-based docking: From hit discovery to metabolism and toxicity predictions von Evangelista, Wilfredo, Weir, Rebecca L, Ellingson, Sally R, Harris, Jason B, Kapoor, Karan, Smith, Jeremy C, Baudry, Jerome

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VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers von Ellingson, Sally R., Smith, Jeremy C., Baudry, Jerome

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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 von Acharya, A, Agarwal, R, Baker, M. B, Baudry, J, Bhowmik, D, Boehm, S, Byler, K. G, Chen, S. Y, Coates, L, Cooper, C. J, Demerdash, O, Daidone, I, Eblen, J. D, Ellingson, S, Forli, S, Glaser, J, Gumbart, J. C, Gunnels, J, Hernandez, O, Irle, S, Kneller, D. W, Kovalevsky, A, Larkin, J, Lawrence, T. J, LeGrand, S, Liu, S.-H, Mitchell, J.C, Park, G, Parks, J.M, Pavlova, A, Petridis, L, Poole, D, Pouchard, L, Ramanathan, A, Rogers, D. M, Santos-Martins, D, Scheinberg, A, Sedova, A, Shen, Y, Smith, J. C, Smith, M. D, Soto, C, Tsaris, A, Thavappiragasam, M, Tillack, A. F, Vermaas, J. V, Vuong, V. Q, Yin, J, Yoo, S, Zahran, M, Zanetti-Polzi, L

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Multi-Conformer Ensemble Docking to Difficult Protein Targets von Ellingson, Sally R, Miao, Yinglong, Baudry, Jerome, Smith, Jeremy C

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Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding? von Evangelista Falcon, Wilfredo, Ellingson, Sally R., Smith, Jeremy C., Baudry, Jerome

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Accelerating virtual high-throughput ligand docking: current technology and case study on a petascale supercomputer von Ellingson, Sally R., Dakshanamurthy, Sivanesan, Brown, Milton, Smith, Jeremy C., Baudry, Jerome

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Multi-Conformer Ensemble Docking to Difficult Protein Targets von Ellingson, Sally R., Miao, Yinglong, Baudry, Jerome, Smith, Jeremy C.

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Multi-parametric MR-PET imaging predicts pharmacokinetics and clinical response to GDC-0084 in patients with recurrent high-grade glioma von Ellingson, Benjamin M., Yao, Jingwen, Raymond, Catalina, Nathanson, David A., Chakhoyan, Ararat, Simpson, Jeremy, Garner, James, Olivero, Alan, Mueller, Lars, Rodon, Jordi, Gerstner, Elizabeth R., Cloughesy, Timothy F., Wen, Patrick Y.

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Endurance training increases skeletal muscle LKB1 and PGC-1α protein abundance: effects of time and intensity von Taylor, Eric B., Lamb, Jeremy D., Hurst, Richard W., Chesser, David G., Ellingson, William J., Greenwood, Lyle J., Porter, Brian B., Herway, Seth T., Winder, William W.

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VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers: Software News And Updates von Ellingson, Sally R., Smith, Jeremy C., Baudry, Jerome

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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 von Acharya, Atanu, Agarwal, Rupesh, Baker, M. B., Baudry, Jerome Y., Bhowmik, Debsindhu, Boehm, Swen, Byler, Kendall G., Chen, S. Y., Coates, Leighton, Cooper, Connor J., Demerdash, Omar N., Daidone, Isabella, Eblen, John D., Ellingson, Sally R., Forli, Stefano, Glaser, Jens, Gumbart, James C., Gunnels, John, Hernandez, Oscar, Irle, Stephan, Kneller, Daniel W., Kovalevsky, Andrii Y., Larkin, Jeffrey, Lawrence, Travis J., LeGrand, Scott, Liu, S.-H. Kevin, Mitchell, Julie C., Park, Gilchan, Parks, Jerry M., Pavlova, Anna, Petridis, Loukas, Poole, Duncan, Pouchard, Line, Ramanathan, Arvind, Rogers, David M., Santos-Martins, Diogo, Scheinberg, Aaron, Sedova, Ada, Shen, Yue, Smith, Jeremy C., Smith, Micholas D., Soto, Carlos, Tsaris, Aristeidis, Thavappiragasam, Mathialakan, Tillack, Andreas F., Vermaas, Josh V., Vuong, Van Quan, Yin, Junqi, Yoo, Shinjae, Zahran, Mai, Zanetti-Polzi, Laura

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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19 von Acharya, Atanu, Agarwal, Rupesh, Baker, M. B., Baudry, Jerome Y., Bhowmik, Debsindhu, Boehm, Swen, Byler, Kendall G., Chen, S. Y., Coates, Leighton, Cooper, Connor J., Demerdash, Omar, Daidone, Isabella, Eblen, John D., Ellingson, Sally R., Forli, Stefano, Glaser, Jens, Gumbart, James C., Gunnels, John, Hernandez, Oscar, Irle, Stephan, Kneller, Daniel W., Kovalevsky, Andrii Y., Larkin, Jeffrey, Lawrence, Travis J., LeGrand, Scott, Liu, S.-H. Kevin, Mitchell, Julie C., Park, Gilchan, Parks, Jerry M., Pavlova, Anna, Petridis, Loukas, Poole, Duncan, Pouchard, Line, Ramanathan, Arvind, Rogers, David M., Santos-Martins, Diogo, Scheinberg, Aaron, Sedova, Ada, Shen, Yue, Smith, Jeremy C., Smith, Micholas D., Soto, Carlos, Tsaris, Aristeidis, Thavappiragasam, Mathialakan, Tillack, Andreas F., Vermaas, Josh V., Vuong, Van Quan, Yin, Junqi, Yoo, Shinjae, Zahran, Mai, Zanetti-Polzi, Laura

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Ensemble-based docking: From hit discovery to metabolism and toxicity predictions von Evangelista, Wilfredo, Weir, Rebecca L., Ellingson, Sally R., Harris, Jason B., Kapoor, Karan, Smith, Jeremy C., Baudry, Jerome

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