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Generation of Tautomers Using Micro-p Ka's.
Watson MA, Yu HS, Bochevarov AD. Watson MA, et al. J Chem Inf Model. 2019 Jun 24;59(6):2672-2689. doi: 10.1021/acs.jcim.8b00955. Epub 2019 Jun 4. J Chem Inf Model. 2019. PMID: 31070917
Comment on the Definition and Labeling of pK50.
Watson MA, Johnston RC, Bochevarov A. Watson MA, et al. J Chem Inf Model. 2023 Sep 11;63(17):5396-5399. doi: 10.1021/acs.jcim.3c01210. Epub 2023 Aug 21. J Chem Inf Model. 2023. PMID: 37603789
Active Monitoring With or Without Endocrine Therapy for Low-Risk Ductal Carcinoma In Situ: The COMET Randomized Clinical Trial.
Hwang ES, Hyslop T, Lynch T, Ryser MD, Weiss A, Wolf A, Norris K, Witten M, Grimm L, Schnitt S, Badve S, Factor R, Frank E, Collyar D, Basila D, Pinto D, Watson MA, West R, Davies L, Donovan JL, Shimada A, Li Y, Li Y, Bennett AV, Rosenberg S, Marks J, Winer E, Boisvert M, Giuliano A, Larson KE, Yost K, McAuliffe PF, Krie A, Tamirisa N, Carey LA, Thompson AM, Partridge AH; COMET Study Investigators. Hwang ES, et al. Among authors: watson ma. JAMA. 2024 Dec 12. doi: 10.1001/jama.2024.26698. Online ahead of print. JAMA. 2024. PMID: 39665585
Quantum chemical package Jaguar: A survey of recent developments and unique features.
Cao Y, Balduf T, Beachy MD, Bennett MC, Bochevarov AD, Chien A, Dub PA, Dyall KG, Furness JW, Halls MD, Hughes TF, Jacobson LD, Kwak HS, Levine DS, Mainz DT, Moore KB 3rd, Svensson M, Videla PE, Watson MA, Friesner RA. Cao Y, et al. Among authors: watson ma. J Chem Phys. 2024 Aug 7;161(5):052502. doi: 10.1063/5.0213317. J Chem Phys. 2024. PMID: 39092934
352 results