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Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
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. Acharya A, et al. Among authors: yoo s. ChemRxiv [Preprint]. 2020 Jul 29. doi: 10.26434/chemrxiv.12725465. ChemRxiv. 2020. Update in: J Chem Inf Model. 2020 Dec 28;60(12):5832-5852. doi: 10.1021/acs.jcim.0c01010 PMID: 33200117 Free PMC article. Updated. Preprint.
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.
Acharya A, Agarwal R, Baker MB, Baudry J, Bhowmik D, Boehm S, Byler KG, Chen SY, Coates L, Cooper CJ, Demerdash O, Daidone I, Eblen JD, Ellingson S, Forli S, Glaser J, Gumbart JC, Gunnels J, Hernandez O, Irle S, Kneller DW, Kovalevsky A, 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 DM, Santos-Martins D, Scheinberg A, Sedova A, Shen Y, 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. Acharya A, et al. Among authors: yoo s. J Chem Inf Model. 2020 Dec 28;60(12):5832-5852. doi: 10.1021/acs.jcim.0c01010. Epub 2020 Dec 16. J Chem Inf Model. 2020. PMID: 33326239 Free PMC article.
Federated Quantum Machine Learning.
Chen SY, Yoo S. Chen SY, et al. Among authors: yoo s. Entropy (Basel). 2021 Apr 13;23(4):460. doi: 10.3390/e23040460. Entropy (Basel). 2021. PMID: 33924721 Free PMC article.
Quantum machine learning with differential privacy.
Watkins WM, Chen SY, Yoo S. Watkins WM, et al. Among authors: yoo s. Sci Rep. 2023 Feb 11;13(1):2453. doi: 10.1038/s41598-022-24082-z. Sci Rep. 2023. PMID: 36774365 Free PMC article.
Pathway-based analyses of gene expression profiles at low doses of ionizing radiation.
Luo X, Niyakan S, Johnstone P, McCorkle S, Park G, López-Marrero V, Yoo S, Dougherty ER, Qian X, Alexander FJ, Jha S, Yoon BJ. Luo X, et al. Among authors: yoo s. Front Bioinform. 2024 May 14;4:1280971. doi: 10.3389/fbinf.2024.1280971. eCollection 2024. Front Bioinform. 2024. PMID: 38812660 Free PMC article.
Complex imaging of phase domains by deep neural networks.
Wu L, Juhas P, Yoo S, Robinson I. Wu L, et al. Among authors: yoo s. IUCrJ. 2021 Jan 1;8(Pt 1):12-21. doi: 10.1107/S2052252520013780. eCollection 2021 Jan 1. IUCrJ. 2021. PMID: 33520239 Free PMC article.
KBase: The United States Department of Energy Systems Biology Knowledgebase.
Arkin AP, Cottingham RW, Henry CS, Harris NL, Stevens RL, Maslov S, Dehal P, Ware D, Perez F, Canon S, Sneddon MW, Henderson ML, Riehl WJ, Murphy-Olson D, Chan SY, Kamimura RT, Kumari S, Drake MM, Brettin TS, Glass EM, Chivian D, Gunter D, Weston DJ, Allen BH, Baumohl J, Best AA, Bowen B, Brenner SE, Bun CC, Chandonia JM, Chia JM, Colasanti R, Conrad N, Davis JJ, Davison BH, DeJongh M, Devoid S, Dietrich E, Dubchak I, Edirisinghe JN, Fang G, Faria JP, Frybarger PM, Gerlach W, Gerstein M, Greiner A, Gurtowski J, Haun HL, He F, Jain R, Joachimiak MP, Keegan KP, Kondo S, Kumar V, Land ML, Meyer F, Mills M, Novichkov PS, Oh T, Olsen GJ, Olson R, Parrello B, Pasternak S, Pearson E, Poon SS, Price GA, Ramakrishnan S, Ranjan P, Ronald PC, Schatz MC, Seaver SMD, Shukla M, Sutormin RA, Syed MH, Thomason J, Tintle NL, Wang D, Xia F, Yoo H, Yoo S, Yu D. Arkin AP, et al. Among authors: yoo s, yoo h. Nat Biotechnol. 2018 Jul 6;36(7):566-569. doi: 10.1038/nbt.4163. Nat Biotechnol. 2018. PMID: 29979655 Free PMC article. No abstract available.
6,250 results