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Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2.
Sanders B, Pokhrel S, Labbe A, Mathews I, Cooper C, Davidson R, Phillips G, Weiss K, Zhang Q, O'Neill H, Kaur M, Ferrins L, Schmidt J, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner D, Kumaran D, Andi B, Babnigg G, Moriarty N, Adams P, Joachimiak A, Hurst B, Kumar S, Butt T, Jonsson C, Wakatsuki S, Galanie S, Head M, Parks J. Sanders B, et al. Among authors: zhang q. Res Sq [Preprint]. 2022 Jul 21:rs.3.rs-1840200. doi: 10.21203/rs.3.rs-1840200/v1. Res Sq. 2022. PMID: 35898342 Free PMC article. Updated. Preprint.
Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Wilamowski M, Hammel M, Leite W, Zhang Q, Kim Y, Weiss KL, Jedrzejczak R, Rosenberg DJ, Fan Y, Wower J, Bierma JC, Sarker AH, Tsutakawa SE, Pingali SV, O'Neill HM, Joachimiak A, Hura GL. Wilamowski M, et al. Among authors: zhang q. Biophys J. 2021 Aug 3;120(15):3152-3165. doi: 10.1016/j.bpj.2021.06.006. Epub 2021 Jun 29. Biophys J. 2021. PMID: 34197805 Free PMC article.
Potent and Selective Covalent Inhibition of the Papain-like Protease from SARS-CoV-2.
Sanders B, Pokhrel S, Labbe A, Mathews I, Cooper C, Davidson R, Phillips G, Weiss K, Zhang Q, O'Neill H, Kaur M, Ferrins L, Schmidt J, Reichard W, Surendranathan S, Parvathareddy J, Phillips L, Rainville C, Sterner D, Kumaran D, Andi B, Babnigg G, Moriarrty N, Adams P, Joachimiak A, Hurst B, Kumar S, Butt T, Jonsson C, Wakatsuki S, Galanie S, Head M, Parks J. Sanders B, et al. Among authors: zhang q. Res Sq [Preprint]. 2022 Jul 21:rs.3.rs-906621. doi: 10.21203/rs.3.rs-906621/v1. Res Sq. 2022. PMID: 34642689 Free PMC article. Updated. Preprint.
Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
Kneller DW, Li H, Galanie S, Phillips G, Labbé A, Weiss KL, Zhang Q, Arnould MA, Clyde A, Ma H, Ramanathan A, Jonsson CB, Head MS, Coates L, Louis JM, Bonnesen PV, Kovalevsky A. Kneller DW, et al. Among authors: zhang q. J Med Chem. 2021 Dec 9;64(23):17366-17383. doi: 10.1021/acs.jmedchem.1c01475. Epub 2021 Oct 27. J Med Chem. 2021. PMID: 34705466 Free PMC article.
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease: room-temperature X-ray and neutron crystallography, binding thermodynamics, and antiviral activity.
Kneller D, Li H, Phillips G, Weiss K, Zhang Q, Arnould M, Jonsson C, Surendranathan S, Parvathareddy J, Blakeley M, Coates L, Louis J, Bonnesen P, Kovalevsky A. Kneller D, et al. Among authors: zhang q. Res Sq [Preprint]. 2022 Feb 11:rs.3.rs-1318037. doi: 10.21203/rs.3.rs-1318037/v1. Res Sq. 2022. PMID: 35169792 Free PMC article. Updated. Preprint.
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease.
Kneller DW, Li H, Phillips G, Weiss KL, Zhang Q, Arnould MA, Jonsson CB, Surendranathan S, Parvathareddy J, Blakeley MP, Coates L, Louis JM, Bonnesen PV, Kovalevsky A. Kneller DW, et al. Among authors: zhang q. Nat Commun. 2022 Apr 27;13(1):2268. doi: 10.1038/s41467-022-29915-z. Nat Commun. 2022. PMID: 35477935 Free PMC article.
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
Joshi RP, Schultz KJ, Wilson JW, Kruel A, Varikoti RA, Kombala CJ, Kneller DW, Galanie S, Phillips G, Zhang Q, Coates L, Parvathareddy J, Surendranathan S, Kong Y, Clyde A, Ramanathan A, Jonsson CB, Brandvold KR, Zhou M, Head MS, Kovalevsky A, Kumar N. Joshi RP, et al. Among authors: zhang q. J Chem Inf Model. 2023 Mar 13;63(5):1438-1453. doi: 10.1021/acs.jcim.2c01377. Epub 2023 Feb 21. J Chem Inf Model. 2023. PMID: 36808989
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