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Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Carney DW, Leffler AE, Bell JA, Chandrasinghe AS, Cheng C, Chang E, Dornford A, Dougan DR, Frye LL, Grimes ME, Knehans T, Knight JL, Komandla M, Lane W, Li H, Newman SR, Phimister K, Saikatendu KS, Silverstein H, Vafaei S. Carney DW, et al. Among authors: knight jl. Bioorg Med Chem. 2024 Apr 1;103:117577. doi: 10.1016/j.bmc.2023.117577. Epub 2024 Jan 5. Bioorg Med Chem. 2024. PMID: 38518735 Free article.
Postgraduate clinical physiotherapy education in acute hospitals: a cohort study.
Bastick EK M Physio, BHM, O'Keeffe DD B Physio, M Physio, Farlie MK B Physio, Post Grad Cert Physio, Grad Cert Health Prof Ed, Ryan DT B Physio, Haines TP PhD, B Physio (Hons), Grad Cert Health Economics, Katz N B Physio, M Health Med Law, Knight JL B Physio, Keely LK B Physio, Spec Cert Paed Ortho, Saber KJ B Physio, Sturgess TR B Physio (Hons), M Physio, Skinner EH PhD, B Physio (Hons). Bastick EK M Physio, BHM, et al. Among authors: knight jl b physio. Physiother Theory Pract. 2020 Jan;36(1):157-169. doi: 10.1080/09593985.2018.1479906. Epub 2018 Jun 18. Physiother Theory Pract. 2020. PMID: 29913072
Response to Russotto et al.
Whiteley GS, Knight JL, Derry CW, Jensen SO, Vickery K, Gosbell IB. Whiteley GS, et al. Among authors: knight jl. Am J Infect Control. 2016 Jun 1;44(6):733-4. doi: 10.1016/j.ajic.2016.01.034. Epub 2016 Mar 25. Am J Infect Control. 2016. PMID: 27020083 No abstract available.
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins.
Harder E, Damm W, Maple J, Wu C, Reboul M, Xiang JY, Wang L, Lupyan D, Dahlgren MK, Knight JL, Kaus JW, Cerutti DS, Krilov G, Jorgensen WL, Abel R, Friesner RA. Harder E, et al. Among authors: knight jl. J Chem Theory Comput. 2016 Jan 12;12(1):281-96. doi: 10.1021/acs.jctc.5b00864. Epub 2015 Dec 1. J Chem Theory Comput. 2016. PMID: 26584231
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.
Wang L, Wu Y, Deng Y, Kim B, Pierce L, Krilov G, Lupyan D, Robinson S, Dahlgren MK, Greenwood J, Romero DL, Masse C, Knight JL, Steinbrecher T, Beuming T, Damm W, Harder E, Sherman W, Brewer M, Wester R, Murcko M, Frye L, Farid R, Lin T, Mobley DL, Jorgensen WL, Berne BJ, Friesner RA, Abel R. Wang L, et al. Among authors: knight jl. J Am Chem Soc. 2015 Feb 25;137(7):2695-703. doi: 10.1021/ja512751q. Epub 2015 Feb 12. J Am Chem Soc. 2015. PMID: 25625324
95 results