Egidi F - Search Results

1

Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems.

Lafiosca P, Rossi F, Egidi F, Giovannini T, Cappelli C. Lafiosca P, et al. Among authors: egidi f. J Chem Theory Comput. 2024 Jan 9;20(1):266-279. doi: 10.1021/acs.jctc.3c00850. Epub 2023 Dec 18. J Chem Theory Comput. 2024. PMID: 38109486 Free PMC article.

2

UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA.

Gómez S, Lafiosca P, Egidi F, Giovannini T, Cappelli C. Gómez S, et al. Among authors: egidi f. J Chem Inf Model. 2023 Feb 27;63(4):1208-1217. doi: 10.1021/acs.jcim.2c01495. Epub 2023 Feb 6. J Chem Inf Model. 2023. PMID: 36745496 Free PMC article.

3

One-helix protein 2 is not required for the synthesis of photosystem II subunit D1 in Chlamydomonas.

Wang F, Dischinger K, Westrich LD, Meindl I, Egidi F, Trösch R, Sommer F, Johnson X, Schroda M, Nickelsen J, Willmund F, Vallon O, Bohne AV. Wang F, et al. Among authors: egidi f. Plant Physiol. 2023 Mar 17;191(3):1612-1633. doi: 10.1093/plphys/kiad015. Plant Physiol. 2023. PMID: 36649171 Free PMC article.

4

Amide Spectral Fingerprints are Hydrogen Bonding-Mediated.

Gómez S, Bottari C, Egidi F, Giovannini T, Rossi B, Cappelli C. Gómez S, et al. Among authors: egidi f. J Phys Chem Lett. 2022 Jul 7;13(26):6200-6207. doi: 10.1021/acs.jpclett.2c01277. Epub 2022 Jun 30. J Phys Chem Lett. 2022. PMID: 35770492 Free PMC article.

5

An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO₂.

Uribe L, Gómez S, Giovannini T, Egidi F, Restrepo A. Uribe L, et al. Among authors: egidi f. Phys Chem Chem Phys. 2021 Jul 14;23(27):14857-14872. doi: 10.1039/d1cp00652e. Phys Chem Chem Phys. 2021. PMID: 34223573

6

A polarizable three-layer frozen density embedding/molecular mechanics approach.

Egidi F, Angelico S, Lafiosca P, Giovannini T, Cappelli C. Egidi F, et al. J Chem Phys. 2021 Apr 28;154(16):164107. doi: 10.1063/5.0045574. J Chem Phys. 2021. PMID: 33940798

7

Multilevel Density Functional Theory.

Marrazzini G, Giovannini T, Scavino M, Egidi F, Cappelli C, Koch H. Marrazzini G, et al. Among authors: egidi f. J Chem Theory Comput. 2021 Feb 9;17(2):791-803. doi: 10.1021/acs.jctc.0c00940. Epub 2021 Jan 15. J Chem Theory Comput. 2021. PMID: 33449681 Free PMC article.

8

Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects.

Marrazzini G, Giovannini T, Egidi F, Cappelli C. Marrazzini G, et al. Among authors: egidi f. J Chem Theory Comput. 2020 Nov 10;16(11):6993-7004. doi: 10.1021/acs.jctc.0c00674. Epub 2020 Oct 15. J Chem Theory Comput. 2020. PMID: 33058671 Free PMC article.

9

Theory and algorithms for chiroptical properties and spectroscopies of aqueous systems.

Giovannini T , Egidi F , Cappelli C . Giovannini T , et al. Among authors: egidi f. Phys Chem Chem Phys. 2020 Oct 21;22(40):22864-22879. doi: 10.1039/d0cp04027d. Phys Chem Chem Phys. 2020. PMID: 33043930

10

Binding of SARS-CoV-2 to Cell Receptors: A Tale of Molecular Evolution.

Gómez SA, Rojas-Valencia N, Gómez S, Egidi F, Cappelli C, Restrepo A. Gómez SA, et al. Among authors: egidi f. Chembiochem. 2021 Feb 15;22(4):724-732. doi: 10.1002/cbic.202000618. Epub 2020 Nov 16. Chembiochem. 2021. PMID: 32986926 Free PMC article.

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