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Hybrid method for representing ions in implicit solvation calculations.
Sun S, Karki C, Xie Y, Xian Y, Guo W, Gao BZ, Li L. Sun S, et al. Among authors: xie y. Comput Struct Biotechnol J. 2021 Jan 20;19:801-811. doi: 10.1016/j.csbj.2021.01.020. eCollection 2021. Comput Struct Biotechnol J. 2021. PMID: 33598096 Free PMC article.
Revealing the mechanism of SARS-CoV-2 spike protein binding with ACE2.
Xie Y, Du D, Karki CB, Guo W, Lopez-Hernandez AE, Sun S, Juarez BY, Li H, Wang J, Li L. Xie Y, et al. Comput Sci Eng. 2020 Nov-Dec;22(6):21-29. doi: 10.1109/MCSE.2020.3015511. Epub 2020 Aug 11. Comput Sci Eng. 2020. PMID: 33762895 Free PMC article.
A computational model of ESAT-6 complex in membrane.
Karki C, Xian Y, Xie Y, Sun S, Lopez-Hernandez AE, Juarez B, Wang J, Sun J, Li L. Karki C, et al. Among authors: xie y. J Theor Comput Chem. 2020 May;19(3):2040002. doi: 10.1142/s0219633620400027. Epub 2020 Mar 17. J Theor Comput Chem. 2020. PMID: 34211240 Free PMC article.
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