Amadei A - Search Results

1

Free-energy profile for CO binding to separated chains of human and Trematomus newnesi hemoglobin: insights from molecular dynamics simulations and perturbed matrix method.

Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L. Merlino A, et al. Among authors: amadei a. J Phys Chem B. 2010 May 27;114(20):7002-8. doi: 10.1021/jp908525s. J Phys Chem B. 2010. PMID: 20433181

2

Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases.

Nardi AN, D'Abramo M, Amadei A. Nardi AN, et al. Among authors: amadei a. Molecules. 2022 Nov 1;27(21):7408. doi: 10.3390/molecules27217408. Molecules. 2022. PMID: 36364237 Free PMC article.

3

Unveiling the Excited State Dynamics of Indole in Solution.

Chen CG, Giustini M, D'Abramo M, Amadei A. Chen CG, et al. Among authors: amadei a. J Chem Theory Comput. 2023 Jul 11;19(13):4114-4124. doi: 10.1021/acs.jctc.3c00221. Epub 2023 Jun 17. J Chem Theory Comput. 2023. PMID: 37329333 Free PMC article.

4

Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin.

Zanetti-Polzi L, Daidone I, Iacobucci C, Amadei A. Zanetti-Polzi L, et al. Among authors: amadei a. Protein J. 2023 Jun;42(3):219-228. doi: 10.1007/s10930-023-10123-7. Epub 2023 May 26. Protein J. 2023. PMID: 37233895 Free PMC article.

5

A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules.

Daidone I, Foffi R, Amadei A, Zanetti-Polzi L. Daidone I, et al. Among authors: amadei a. J Chem Phys. 2023 Sep 7;159(9):094502. doi: 10.1063/5.0157505. J Chem Phys. 2023. PMID: 37655770

6

The essential dynamics of Cu, Zn superoxide dismutase: suggestion of intersubunit communication.

Chillemi G, Falconi M, Amadei A, Zimatore G, Desideri A, Di Nola A. Chillemi G, et al. Among authors: amadei a. Biophys J. 1997 Aug;73(2):1007-18. doi: 10.1016/S0006-3495(97)78134-7. Biophys J. 1997. PMID: 9251818 Free PMC article.

7

Mechanics and dynamics of B1 domain of protein G: role of packing and surface hydrophobic residues.

Ceruso MA, Amadei A, Di Nola A. Ceruso MA, et al. Among authors: amadei a. Protein Sci. 1999 Jan;8(1):147-60. doi: 10.1110/ps.8.1.147. Protein Sci. 1999. PMID: 10210193 Free PMC article.

8

On the convergence of the conformational coordinates basis set obtained by the essential dynamics analysis of proteins' molecular dynamics simulations.

Amadei A, Ceruso MA, Di Nola A. Amadei A, et al. Proteins. 1999 Sep 1;36(4):419-24. Proteins. 1999. PMID: 10450083

9

A molecular dynamics study of the 41-56 beta-hairpin from B1 domain of protein G.

Roccatano D, Amadei A, Di Nola A, Berendsen HJ. Roccatano D, et al. Among authors: amadei a. Protein Sci. 1999 Oct;8(10):2130-43. doi: 10.1110/ps.8.10.2130. Protein Sci. 1999. PMID: 10548059 Free PMC article.

10

The effect of protein conformational flexibility on the electronic properties of a chromophore.

Spezia R, Aschi M, Nola AD, Valentin MD, Carbonera D, Amadei A. Spezia R, et al. Among authors: amadei a. Biophys J. 2003 May;84(5):2805-13. doi: 10.1016/s0006-3495(03)70010-1. Biophys J. 2003. PMID: 12719215 Free PMC article.

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