SARS-CoV2 Docking MLMol Benchmark Dataset

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2020
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
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. & 31 others, 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., Dec 28 2020, In: Journal of Chemical Information and Modeling. 60, 12, p. 5832-5852 21 p.
Research output: Contribution to journal › Article › peer-review
148 Scopus citations

Research output