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Molecular-dynamics simulations of urea nucleation from aqueous solution.
Salvalaglio M, Perego C, Giberti F, Mazzotti M, Parrinello M. Salvalaglio M, et al. Among authors: perego c. Proc Natl Acad Sci U S A. 2015 Jan 6;112(1):E6-14. doi: 10.1073/pnas.1421192111. Epub 2014 Dec 9. Proc Natl Acad Sci U S A. 2015. PMID: 25492932 Free PMC article.
Dimer Metadynamics.
Nava M, Palazzesi F, Perego C, Parrinello M. Nava M, et al. Among authors: perego c. J Chem Theory Comput. 2017 Feb 14;13(2):425-430. doi: 10.1021/acs.jctc.6b00691. Epub 2017 Jan 10. J Chem Theory Comput. 2017. PMID: 28005387
A Cannibalistic Approach to Grand Canonical Crystal Growth.
Karmakar T, Piaggi PM, Perego C, Parrinello M. Karmakar T, et al. Among authors: perego c. J Chem Theory Comput. 2018 May 8;14(5):2678-2683. doi: 10.1021/acs.jctc.8b00191. Epub 2018 Apr 4. J Chem Theory Comput. 2018. PMID: 29589924
Into the dynamics of rotaxanes at atomistic resolution.
Leanza L, Perego C, Pesce L, Salvalaglio M, von Delius M, Pavan GM. Leanza L, et al. Among authors: perego c. Chem Sci. 2023 May 30;14(24):6716-6729. doi: 10.1039/d3sc01593a. eCollection 2023 Jun 21. Chem Sci. 2023. PMID: 37350834 Free PMC article.
227 results