Masetti M - Search Results

1

Gating residues govern ligand unbinding kinetics from the buried cavity in HIF-2α PAS-B.

Silvestrini ML, Solazzo R, Boral S, Cocco MJ, Closson JD, Masetti M, Gardner KH, Chong LT. Silvestrini ML, et al. Among authors: masetti m. Protein Sci. 2024 Nov;33(11):e5198. doi: 10.1002/pro.5198. Protein Sci. 2024. PMID: 39467204 Free PMC article.

2

Protein dynamics of the HIF-2α PAS-B domain upon heterodimerization and ligand binding.

Masetti M, Falchi F, Recanatini M. Masetti M, et al. PLoS One. 2014 Apr 15;9(4):e94986. doi: 10.1371/journal.pone.0094986. eCollection 2014. PLoS One. 2014. PMID: 24736273 Free PMC article.

3

Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics.

Schuetz DA, Bernetti M, Bertazzo M, Musil D, Eggenweiler HM, Recanatini M, Masetti M, Ecker GF, Cavalli A. Schuetz DA, et al. Among authors: masetti m. J Chem Inf Model. 2019 Jan 28;59(1):535-549. doi: 10.1021/acs.jcim.8b00614. Epub 2018 Dec 13. J Chem Inf Model. 2019. PMID: 30500211

4

Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations.

Bertazzo M, Bernetti M, Recanatini M, Masetti M, Cavalli A. Bertazzo M, et al. Among authors: masetti m. J Chem Inf Model. 2018 Feb 26;58(2):490-500. doi: 10.1021/acs.jcim.7b00674. Epub 2018 Feb 9. J Chem Inf Model. 2018. PMID: 29378136

5

Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin.

Bosio S, Bernetti M, Rocchia W, Masetti M. Bosio S, et al. Among authors: masetti m. J Chem Inf Model. 2024 Jun 10;64(11):4570-4586. doi: 10.1021/acs.jcim.4c00420. Epub 2024 May 27. J Chem Inf Model. 2024. PMID: 38800845

6

Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.

Gioia D, Bertazzo M, Recanatini M, Masetti M, Cavalli A. Gioia D, et al. Among authors: masetti m. Molecules. 2017 Nov 22;22(11):2029. doi: 10.3390/molecules22112029. Molecules. 2017. PMID: 29165360 Free PMC article. Review.

7

Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors.

Bernetti M, Rosini E, Mollica L, Masetti M, Pollegioni L, Recanatini M, Cavalli A. Bernetti M, et al. Among authors: masetti m. J Chem Inf Model. 2018 Nov 26;58(11):2255-2265. doi: 10.1021/acs.jcim.8b00518. Epub 2018 Nov 5. J Chem Inf Model. 2018. PMID: 30339750

8

Protein Flexibility in Drug Discovery: From Theory to Computation.

Buonfiglio R, Recanatini M, Masetti M. Buonfiglio R, et al. Among authors: masetti m. ChemMedChem. 2015 Jul;10(7):1141-8. doi: 10.1002/cmdc.201500086. Epub 2015 Apr 17. ChemMedChem. 2015. PMID: 25891095 Review.

9

Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields.

Ocello R, Furini S, Lugli F, Recanatini M, Domene C, Masetti M. Ocello R, et al. Among authors: masetti m. J Chem Inf Model. 2020 Dec 28;60(12):6532-6543. doi: 10.1021/acs.jcim.0c01179. Epub 2020 Dec 9. J Chem Inf Model. 2020. PMID: 33295174 Free PMC article.

10

Collecting and assessing human lactate dehydrogenase-A conformations for structure-based virtual screening.

Buonfiglio R, Ferraro M, Falchi F, Cavalli A, Masetti M, Recanatini M. Buonfiglio R, et al. Among authors: masetti m. J Chem Inf Model. 2013 Nov 25;53(11):2792-7. doi: 10.1021/ci400543y. Epub 2013 Nov 13. J Chem Inf Model. 2013. PMID: 24138094

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