Castelli M - Search Results

1

Protein Allostery and Ligand Design: Computational Design Meets Experiments to Discover Novel Chemical Probes.

Triveri A, Sanchez-Martin C, Torielli L, Serapian SA, Marchetti F, D'Acerno G, Pirota V, Castelli M, Moroni E, Ferraro M, Quadrelli P, Rasola A, Colombo G. Triveri A, et al. Among authors: castelli m. J Mol Biol. 2022 Sep 15;434(17):167468. doi: 10.1016/j.jmb.2022.167468. Epub 2022 Jan 29. J Mol Biol. 2022. PMID: 35101454

2

Exploiting Folding and Degradation Machineries To Target Undruggable Proteins: What Can a Computational Approach Tell Us?

Serapian SA, Triveri A, Marchetti F, Castelli M, Colombo G. Serapian SA, et al. Among authors: castelli m. ChemMedChem. 2021 May 18;16(10):1593-1599. doi: 10.1002/cmdc.202000960. Epub 2021 Feb 18. ChemMedChem. 2021. PMID: 33443306

3

The tumor suppressor folliculin inhibits lactate dehydrogenase A and regulates the Warburg effect.

Woodford MR, Baker-Williams AJ, Sager RA, Backe SJ, Blanden AR, Hashmi F, Kancherla P, Gori A, Loiselle DR, Castelli M, Serapian SA, Colombo G, Haystead TA, Jensen SM, Stetler-Stevenson WG, Loh SN, Schmidt LS, Linehan WM, Bah A, Bourboulia D, Bratslavsky G, Mollapour M. Woodford MR, et al. Among authors: castelli m. Nat Struct Mol Biol. 2021 Aug;28(8):662-670. doi: 10.1038/s41594-021-00633-2. Epub 2021 Aug 11. Nat Struct Mol Biol. 2021. PMID: 34381247 Free PMC article.

4

New perspectives in cancer drug development: computational advances with an eye to design.

Castelli M, Serapian SA, Marchetti F, Triveri A, Pirota V, Torielli L, Collina S, Doria F, Freccero M, Colombo G. Castelli M, et al. RSC Med Chem. 2021 Jul 7;12(9):1491-1502. doi: 10.1039/d1md00192b. eCollection 2021 Sep 23. RSC Med Chem. 2021. PMID: 34671733 Free PMC article. Review.

5

Studying the Dynamics of a Complex G-Quadruplex System: Insights into the Comparison of MD and NMR Data.

Castelli M, Doria F, Freccero M, Colombo G, Moroni E. Castelli M, et al. J Chem Theory Comput. 2022 Jul 12;18(7):4515-4528. doi: 10.1021/acs.jctc.2c00291. Epub 2022 Jun 6. J Chem Theory Comput. 2022. PMID: 35666124 Free PMC article.

6

Phosphorylation of the Hsp90 Co-Chaperone Hop Changes its Conformational Dynamics and Biological Function.

Castelli M, Bhattacharya K, Abboud E, Serapian SA, Picard D, Colombo G. Castelli M, et al. J Mol Biol. 2023 Feb 1;435(3):167931. doi: 10.1016/j.jmb.2022.167931. Epub 2022 Dec 23. J Mol Biol. 2023. PMID: 36572238

7

PhosY-secretome profiling combined with kinase-substrate interaction screening defines active c-Src-driven extracellular signaling.

Backe SJ, Votra SD, Stokes MP, Sebestyén E, Castelli M, Torielli L, Colombo G, Woodford MR, Mollapour M, Bourboulia D. Backe SJ, et al. Among authors: castelli m. Cell Rep. 2023 Jun 27;42(6):112539. doi: 10.1016/j.celrep.2023.112539. Epub 2023 May 25. Cell Rep. 2023. PMID: 37243593 Free PMC article.

8

How aberrant N-glycosylation can alter protein functionality and ligand binding: An atomistic view.

Castelli M, Yan P, Rodina A, Digwal CS, Panchal P, Chiosis G, Moroni E, Colombo G. Castelli M, et al. Structure. 2023 Aug 3;31(8):987-1004.e8. doi: 10.1016/j.str.2023.05.017. Epub 2023 Jun 20. Structure. 2023. PMID: 37343552

9

NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design.

Casali E, Serapian SA, Gianquinto E, Castelli M, Bertinaria M, Spyrakis F, Colombo G. Casali E, et al. Among authors: castelli m. Int J Biol Macromol. 2023 Aug 15;246:125609. doi: 10.1016/j.ijbiomac.2023.125609. Epub 2023 Jul 1. Int J Biol Macromol. 2023. PMID: 37394218 Free article.

10

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations.

Castelli M, Marchetti F, Osuna S, F Oliveira AS, Mulholland AJ, Serapian SA, Colombo G. Castelli M, et al. J Am Chem Soc. 2024 Jan 10;146(1):901-919. doi: 10.1021/jacs.3c11396. Epub 2023 Dec 20. J Am Chem Soc. 2024. PMID: 38116743 Free PMC article.

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