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AmberTools.
Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
Protein storytelling through physics.
Brini E, Simmerling C, Dill K. Brini E, et al. Science. 2020 Nov 27;370(6520):eaaz3041. doi: 10.1126/science.aaz3041. Science. 2020. PMID: 33243857 Free PMC article. Review.
Accurately Modeling RNA Stem-Loops in an Implicit Solvent Environment.
Linzer JT, Aminov E, Abdullah AS, Kirkup CE, Diaz Ventura RI, Bijoor VR, Jung J, Huang S, Tse CG, Álvarez Toucet E, Onghai HP, Ghosh AP, Grodzki AC, Haines ER, Iyer AS, Khalil MK, Leong AP, Neuhaus MA, Park J, Shahid A, Xie M, Ziembicki JM, Simmerling C, Nagan MC. Linzer JT, et al. J Chem Inf Model. 2024 Aug 12;64(15):6092-6104. doi: 10.1021/acs.jcim.4c00756. Epub 2024 Jul 13. J Chem Inf Model. 2024. PMID: 39002142
Protecting consumers from collusive prices due to AI.
Calvano E, Calzolari G, Denicolò V, Harrington JE Jr, Pastorello S. Calvano E, et al. Science. 2020 Nov 27;370(6520):1040-1042. doi: 10.1126/science.abe3796. Science. 2020. PMID: 33243879 No abstract available.
36 results