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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: li p. 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.
KECSA-Movable Type Implicit Solvation Model (KMTISM).
Zheng Z, Wang T, Li P, Merz KM Jr. Zheng Z, et al. Among authors: li p. J Chem Theory Comput. 2015 Feb 10;11(2):667-82. doi: 10.1021/ct5007828. J Chem Theory Comput. 2015. PMID: 25691832 Free PMC article.
Metal Ion Capture Mechanism of a Copper Metallochaperone.
Chakravorty DK, Li P, Tran TT, Bayse CA, Merz KM Jr. Chakravorty DK, et al. Among authors: li p. Biochemistry. 2016 Jan 26;55(3):501-9. doi: 10.1021/acs.biochem.5b01217. Epub 2016 Jan 12. Biochemistry. 2016. PMID: 26690586
Metal Ion Modeling Using Classical Mechanics.
Li P, Merz KM Jr. Li P, et al. Chem Rev. 2017 Feb 8;117(3):1564-1686. doi: 10.1021/acs.chemrev.6b00440. Epub 2017 Jan 3. Chem Rev. 2017. PMID: 28045509 Free PMC article. Review.
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