Perego C - Search Results

1

Supramolecular cooperativity through the lens of enhanced sampling molecular dynamics.

Cardellini A, Polino D, Perego C. Cardellini A, et al. Among authors: perego c. J Chem Phys. 2026 Jan 28;164(4):044904. doi: 10.1063/5.0288284. J Chem Phys. 2026. PMID: 41574808

2

Monomer exchange dynamics in ureido-pyrimidinone supramolecular polymers via molecular simulations.

Cardellini A, Caruso C, Rijns L, Dankers PYW, Pavan GM, Perego C. Cardellini A, et al. Among authors: perego c. J Mater Chem B. 2025 Nov 12;13(44):14326-14337. doi: 10.1039/d5tb01272d. J Mater Chem B. 2025. PMID: 41117111 Free PMC article.

3

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.

4

Molecular dynamics simulations of solutions at constant chemical potential.

Perego C, Salvalaglio M, Parrinello M. Perego C, et al. J Chem Phys. 2015 Apr 14;142(14):144113. doi: 10.1063/1.4917200. J Chem Phys. 2015. PMID: 25877568 Free article.

5

Molecular communications in complex systems of dynamic supramolecular polymers.

Crippa M, Perego C, de Marco AL, Pavan GM. Crippa M, et al. Among authors: perego c. Nat Commun. 2022 Apr 20;13(1):2162. doi: 10.1038/s41467-022-29804-5. Nat Commun. 2022. PMID: 35443756 Free PMC article.

6

Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study.

Signorini LF, Perego C, Potestio R. Signorini LF, et al. Among authors: perego c. J Chem Phys. 2021 Sep 21;155(11):115101. doi: 10.1063/5.0063254. J Chem Phys. 2021. PMID: 34551527

7

Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.

Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. Pesce L, et al. Among authors: perego c. J Am Chem Soc. 2020 May 27;142(21):9792-9802. doi: 10.1021/jacs.0c03444. Epub 2020 May 14. J Am Chem Soc. 2020. PMID: 32353237 Free PMC article.

8

Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations.

Karmakar T, Finney AR, Salvalaglio M, Yazaydin AO, Perego C. Karmakar T, et al. Among authors: perego c. Acc Chem Res. 2023 May 16;56(10):1156-1167. doi: 10.1021/acs.accounts.2c00811. Epub 2023 Apr 25. Acc Chem Res. 2023. PMID: 37120847 Free PMC article.

9

Chemical potential calculations in non-homogeneous liquids.

Perego C, Valsson O, Parrinello M. Perego C, et al. J Chem Phys. 2018 Aug 21;149(7):072305. doi: 10.1063/1.5024631. J Chem Phys. 2018. PMID: 30134712

10

Exploring the Potential of Benzene-1,3,5-tricarboxamide Supramolecular Polymers as Biomaterials.

Varela-Aramburu S, Morgese G, Su L, Schoenmakers SMC, Perrone M, Leanza L, Perego C, Pavan GM, Palmans ARA, Meijer EW. Varela-Aramburu S, et al. Among authors: perego c. Biomacromolecules. 2020 Oct 12;21(10):4105-4115. doi: 10.1021/acs.biomac.0c00904. Epub 2020 Sep 29. Biomacromolecules. 2020. PMID: 32991162 Free PMC article.

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