Perego C - Search Results

1

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

2

Searching the Optimal Folding Routes of a Complex Lasso Protein.

Perego C, Potestio R. Perego C, et al. Biophys J. 2019 Jul 23;117(2):214-228. doi: 10.1016/j.bpj.2019.05.025. Epub 2019 Jun 7. Biophys J. 2019. PMID: 31235180 Free PMC article.

3

Computational methods in the study of self-entangled proteins: a critical appraisal.

Perego C, Potestio R. Perego C, et al. J Phys Condens Matter. 2019 Nov 6;31(44):443001. doi: 10.1088/1361-648X/ab2f19. Epub 2019 Jul 3. J Phys Condens Matter. 2019. PMID: 31269476 Review.

4

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

5

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.

6

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.

7

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.

8

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.

9

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization.

Empereur-Mot C, Pesce L, Doni G, Bochicchio D, Capelli R, Perego C, Pavan GM. Empereur-Mot C, et al. Among authors: perego c. ACS Omega. 2020 Dec 7;5(50):32823-32843. doi: 10.1021/acsomega.0c05469. eCollection 2020 Dec 22. ACS Omega. 2020. PMID: 33376921 Free PMC article.

10

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.

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