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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. Among authors: luchko t. 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.
Ion counting from explicit-solvent simulations and 3D-RISM.
Giambaşu GM, Luchko T, Herschlag D, York DM, Case DA. Giambaşu GM, et al. Among authors: luchko t. Biophys J. 2014 Feb 18;106(4):883-94. doi: 10.1016/j.bpj.2014.01.021. Biophys J. 2014. PMID: 24559991 Free PMC article.
Competitive interaction of monovalent cations with DNA from 3D-RISM.
Giambaşu GM, Gebala MK, Panteva MT, Luchko T, Case DA, York DM. Giambaşu GM, et al. Among authors: luchko t. Nucleic Acids Res. 2015 Sep 30;43(17):8405-15. doi: 10.1093/nar/gkv830. Epub 2015 Aug 24. Nucleic Acids Res. 2015. PMID: 26304542 Free PMC article.
Small molecule hydration energy and entropy from 3D-RISM.
Johnson J, Case DA, Yamazaki T, Gusarov S, Kovalenko A, Luchko T. Johnson J, et al. Among authors: luchko t. J Phys Condens Matter. 2016 Sep 1;28(34):344002. doi: 10.1088/0953-8984/28/34/344002. Epub 2016 Jul 1. J Phys Condens Matter. 2016. PMID: 27367817 Free PMC article.
29 results