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Acharya A, Agarwal R, Baker M, et al. Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. ChemRxiv. 2020;doi: 10.26434/chemrxiv.12725465.
Acharya, A., Agarwal, R., Baker, M., Baudry, J., Bhowmik, D., Boehm, S., Byler, K. G., Coates, L., Chen, S. Y., 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., 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., Santos-Martins, D., Scheinberg, A., Sedova, A., Shen, S., 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. (2020). Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. ChemRxiv : the preprint server for chemistry, . https://doi.org/10.26434/chemrxiv.12725465
Acharya, A, et al. "Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19." ChemRxiv : the preprint server for chemistry vol. (2020). doi: https://doi.org/10.26434/chemrxiv.12725465
Acharya A, Agarwal R, Baker M, Baudry J, Bhowmik D, Boehm S, Byler KG, Coates L, Chen SY, Cooper CJ, Demerdash O, Daidone I, Eblen JD, Ellingson S, Forli S, Glaser J, Gumbart JC, Gunnels J, Hernandez O, Irle S, Larkin J, Lawrence TJ, LeGrand S, Liu SH, Mitchell JC, Park G, Parks JM, Pavlova A, Petridis L, Poole D, Pouchard L, Ramanathan A, Rogers D, Santos-Martins D, Scheinberg A, Sedova A, Shen S, Smith JC, Smith MD, Soto C, Tsaris A, Thavappiragasam M, Tillack AF, Vermaas JV, Vuong VQ, Yin J, Yoo S, Zahran M, Zanetti-Polzi L. Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. ChemRxiv. 2020 Jul 29; doi: 10.26434/chemrxiv.12725465. PMID: 33200117; PMCID: PMC7668744.
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