Rinaldi S - Search Results

1

Frontiers and Challenges of Computing ncRNAs Biogenesis, Function and Modulation.

Rinaldi S, Moroni E, Rozza R, Magistrato A. Rinaldi S, et al. J Chem Theory Comput. 2024 Feb 13;20(3):993-1018. doi: 10.1021/acs.jctc.3c01239. Epub 2024 Jan 30. J Chem Theory Comput. 2024. PMID: 38287883 Review.

2

Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design.

Ferraro M, D'Annessa I, Moroni E, Morra G, Paladino A, Rinaldi S, Compostella F, Colombo G. Ferraro M, et al. Among authors: rinaldi s. J Med Chem. 2019 Jan 10;62(1):60-87. doi: 10.1021/acs.jmedchem.8b00825. Epub 2018 Aug 9. J Med Chem. 2019. PMID: 30048133 Free article. Review.

3

Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1.

Ferraro M, Moroni E, Ippoliti E, Rinaldi S, Sanchez-Martin C, Rasola A, Pavarino LF, Colombo G. Ferraro M, et al. Among authors: rinaldi s. J Phys Chem B. 2021 Jan 14;125(1):101-114. doi: 10.1021/acs.jpcb.0c09742. Epub 2020 Dec 28. J Phys Chem B. 2021. PMID: 33369425 Free PMC article.

4

Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin.

Laricheva EN, Gozem S, Rinaldi S, Melaccio F, Valentini A, Olivucci M. Laricheva EN, et al. Among authors: rinaldi s. J Chem Theory Comput. 2012 Aug 14;8(8):2559-63. doi: 10.1021/ct3002514. Epub 2012 Jul 31. J Chem Theory Comput. 2012. PMID: 26592102

5

The dynamics of t1 adenosine binding on human Argonaute 2: Understanding recognition with conformational selection.

Rinaldi S, Colombo G, Paladino A. Rinaldi S, et al. Protein Sci. 2022 Aug;31(8):e4377. doi: 10.1002/pro.4377. Protein Sci. 2022. PMID: 35900022 Free PMC article.

6

Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology.

Melaccio F, Del Carmen Marín M, Valentini A, Montisci F, Rinaldi S, Cherubini M, Yang X, Kato Y, Stenrup M, Orozco-Gonzalez Y, Ferré N, Luk HL, Kandori H, Olivucci M. Melaccio F, et al. Among authors: rinaldi s. J Chem Theory Comput. 2016 Dec 13;12(12):6020-6034. doi: 10.1021/acs.jctc.6b00367. Epub 2016 Nov 15. J Chem Theory Comput. 2016. PMID: 27779842

7

Disulfide Bond Mimetics: Strategies and Challenges.

Gori A, Gagni P, Rinaldi S. Gori A, et al. Among authors: rinaldi s. Chemistry. 2017 Oct 26;23(60):14987-14995. doi: 10.1002/chem.201703199. Epub 2017 Aug 23. Chemistry. 2017. PMID: 28749012 Review.

8

Tryptophan scanning mutagenesis as a way to mimic the compound-bound state and probe the selectivity of allosteric inhibitors in cells.

Taylor IR, Assimon VA, Kuo SY, Rinaldi S, Li X, Young ZT, Morra G, Green K, Nguyen D, Shao H, Garneau-Tsodikova S, Colombo G, Gestwicki JE. Taylor IR, et al. Among authors: rinaldi s. Chem Sci. 2020 Jan 10;11(7):1892-1904. doi: 10.1039/c9sc04284a. Chem Sci. 2020. PMID: 34123282 Free PMC article.

9

Unraveling Energy and Dynamics Determinants to Interpret Protein Functional Plasticity: The Limonene-1,2-epoxide-hydrolase Case Study.

Rinaldi S, Gori A, Annovazzi C, Ferrandi EE, Monti D, Colombo G. Rinaldi S, et al. J Chem Inf Model. 2017 Apr 24;57(4):717-725. doi: 10.1021/acs.jcim.6b00504. Epub 2017 Mar 29. J Chem Inf Model. 2017. PMID: 28298080

10

A Local Allosteric Network in Heat Shock Protein 70 (Hsp70) Links Inhibitor Binding to Enzyme Activity and Distal Protein-Protein Interactions.

Rinaldi S, Assimon VA, Young ZT, Morra G, Shao H, Taylor IR, Gestwicki JE, Colombo G. Rinaldi S, et al. ACS Chem Biol. 2018 Nov 16;13(11):3142-3152. doi: 10.1021/acschembio.8b00712. Epub 2018 Nov 8. ACS Chem Biol. 2018. PMID: 30372610 Free PMC article.

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