Essential Oils as Antiviral Agents. Potential of Essential Oils to Treat SARS-CoV-2 Infection: An In-Silico Investigation von Silva, Joyce Kelly R da, Figueiredo, Pablo Luis Baia, Byler, Kendall G, Setzer, William N

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Secondary Metabolic Profile as a Tool for Distinction and Characterization of Cultivars of Black Pepper ( Piper nigrum L.) Cultivated in Pará State, Brazil von Barata, Luccas M, Andrade, Eloísa H, Ramos, Alessandra R, de Lemos, Oriel F, Setzer, William N, Byler, Kendall G, Maia, José Guilherme S, da Silva, Joyce Kelly R

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Natural Products as New Treatment Options for Trichomoniasis: A Molecular Docking Investigation von Setzer, Mary Snow, Byler, Kendall G, Ogungbe, Ifedayo Victor, Setzer, William N

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In-silico screening for anti-Zika virus phytochemicals von Byler, Kendall G, Ogungbe, Ifedayo Victor, Setzer, William N

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Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins von Byler, Kendall G, Setzer, William N

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Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits von Martinez-Mayorga, Karina, Byler, Kendall G., Ramirez-Hernandez, Ariadna I., Terrazas-Alvares, Diana E.

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Alphavirus protease inhibitors from natural sources: A homology modeling and molecular docking investigation von Byler, Kendall G., Collins, Jasmine T., Ogungbe, Ifedayo Victor, Setzer, William N.

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The role of imidazole in peptide cyclization by transesterification: parallels to the catalytic triads of serine proteases von Byler, Kendall G, Li, Yangmei, Houghten, Richard A, Martinez-Mayorga, Karina

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Quinoline alkaloids as intercalative topoisomerase inhibitors von Byler, Kendall G., Wang, Chen, Setzer, William N.

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Ligand/kappa-opioid receptor interactions: Insights from the X-ray crystal structure von Martinez-Mayorga, Karina, Byler, Kendall G., Yongye, Austin B., Giulianotti, Marc A., Dooley, Colette T., Houghten, Richard A.

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Identification of benzoylisoquinolines as potential anti-Chagas agents von Byler, Kendall G., Brito-Arias, Marco, Marquez-Navarro, Adrian, Nogueda-Torres, Benjamin, Torres-Bustillos, Luis G., Martínez-Mayorga, Karina

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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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Cruzain inhibitors: efforts made, current leads and a structural outlook of new hits: Post screen von Martinez-Mayorga, Karina, Byler, Kendall G, Ramirez-Hernandez, Ariadna I, Terrazas-Alvares, Diana E

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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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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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Mechanism of Influenza A M2 Ion-Channel Inhibition: A Docking and QSAR Study von Gaiday, Alexander V., Levandovskiy, Igor A., Byler, Kendall G., Shubina, Tatyana E.

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Floral essential oil of Guettarda poasana inhibits yeast growth von Cotterill, F.P.D, Fergusson, R.A

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ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS von ZORAGHI, ROYA, BRUNHAM, ROBERT C, MOREAU, ANNE, TCHERKASSOV, ARTEM, KUMAR, NAG, HSING, MICHAEL M. K, BYLER, KENDALL G, BAN, FUQIANG, LABRIERE, CHRISTOPHE, FINLAY, BARTON B, SEE, RAYMOND H, AXERIO-CILIES, PETER J, FOSTER, LEONARD J, YOUNG, ROBERT N, REINER, NEIL E, MCMASTER, WILLIAM R

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The Convergence of HPC, AI and Big Data in Rapid-Response to the COVID-19 Pandemic von Sukumar, Sreenivas R., Balma, Jacob A., Rickett, Christopher D., Maschhoff, Kristyn J., Landman, Joseph, Yates, Charles R., Chittiboyina, Amar G., Peterson, Yuri K., Vose, Aaron, Byler, Kendall, Baudry, Jerome, Khan, Ikhlas A.

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