Raniolo S - Search Results

1

Rational Design of Antiangiogenic Helical Oligopeptides Targeting the Vascular Endothelial Growth Factor Receptors.

Zanella S, Bocchinfuso G, De Zotti M, Arosio D, Marino F, Raniolo S, Pignataro L, Sacco G, Palleschi A, Siano AS, Piarulli U, Belvisi L, Formaggio F, Gennari C, Stella L. Zanella S, et al. Among authors: raniolo s. Front Chem. 2019 Mar 29;7:170. doi: 10.3389/fchem.2019.00170. eCollection 2019. Front Chem. 2019. PMID: 30984741 Free PMC article.

2

Aggregation propensity of Aib homo-peptides of different length: an insight from molecular dynamics simulations.

Bocchinfuso G, Conflitti P, Raniolo S, Caruso M, Mazzuca C, Gatto E, Placidi E, Formaggio F, Toniolo C, Venanzi M, Palleschi A. Bocchinfuso G, et al. Among authors: raniolo s. J Pept Sci. 2014 Jul;20(7):494-507. doi: 10.1002/psc.2648. Epub 2014 May 20. J Pept Sci. 2014. PMID: 24845474

3

Protein-ligand binding with the coarse-grained Martini model.

Souza PCT, Thallmair S, Conflitti P, Ramírez-Palacios C, Alessandri R, Raniolo S, Limongelli V, Marrink SJ. Souza PCT, et al. Among authors: raniolo s. Nat Commun. 2020 Jul 24;11(1):3714. doi: 10.1038/s41467-020-17437-5. Nat Commun. 2020. PMID: 32709852 Free PMC article.

4

The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled Receptor.

Yuan X, Raniolo S, Limongelli V, Xu Y. Yuan X, et al. Among authors: raniolo s. J Chem Theory Comput. 2018 May 8;14(5):2761-2770. doi: 10.1021/acs.jctc.8b00046. Epub 2018 Apr 27. J Chem Theory Comput. 2018. PMID: 29660291

5

DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis.

Aureli S, Di Marino D, Raniolo S, Limongelli V. Aureli S, et al. Among authors: raniolo s. Bioinformatics. 2019 Dec 15;35(24):5328-5330. doi: 10.1093/bioinformatics/btz543. Bioinformatics. 2019. PMID: 31304963 Free PMC article.

6

Ligand Binding, Unbinding, and Allosteric Effects: Deciphering Small-Molecule Modulation of HSP90.

D'Annessa I, Raniolo S, Limongelli V, Di Marino D, Colombo G. D'Annessa I, et al. Among authors: raniolo s. J Chem Theory Comput. 2019 Nov 12;15(11):6368-6381. doi: 10.1021/acs.jctc.9b00319. Epub 2019 Oct 8. J Chem Theory Comput. 2019. PMID: 31538783

7

Ligand binding free-energy calculations with funnel metadynamics.

Raniolo S, Limongelli V. Raniolo S, et al. Nat Protoc. 2020 Sep;15(9):2837-2866. doi: 10.1038/s41596-020-0342-4. Epub 2020 Aug 19. Nat Protoc. 2020. PMID: 32814837

8

Improving Small-Molecule Force Field Parameters in Ligand Binding Studies.

Raniolo S, Limongelli V. Raniolo S, et al. Front Mol Biosci. 2021 Dec 13;8:760283. doi: 10.3389/fmolb.2021.760283. eCollection 2021. Front Mol Biosci. 2021. PMID: 34966779 Free PMC article.

9

Targeting Cytokine Release Through the Differential Modulation of Nrf2 and NF-κB Pathways by Electrophilic/Non-Electrophilic Compounds.

Fagiani F, Catanzaro M, Buoso E, Basagni F, Di Marino D, Raniolo S, Amadio M, Frost EH, Corsini E, Racchi M, Fulop T, Govoni S, Rosini M, Lanni C. Fagiani F, et al. Among authors: raniolo s. Front Pharmacol. 2020 Aug 14;11:1256. doi: 10.3389/fphar.2020.01256. eCollection 2020. Front Pharmacol. 2020. PMID: 32922294 Free PMC article.

10

Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase.

Aureli S, Cardenas VB, Raniolo S, Limongelli V. Aureli S, et al. Among authors: raniolo s. Commun Chem. 2023 Nov 7;6(1):242. doi: 10.1038/s42004-023-01040-y. Commun Chem. 2023. PMID: 37935941 Free PMC article.

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