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Simulating Metal-Imidazole Complexes.
Li Z, Bhowmik S, Sagresti L, Brancato G, Smith M, Benson DE, Li P, Merz KM Jr. Li Z, et al. Among authors: li p. J Chem Theory Comput. 2024 Aug 13;20(15):6706-6716. doi: 10.1021/acs.jctc.4c00581. Epub 2024 Jul 31. J Chem Theory Comput. 2024. PMID: 39081207 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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