Bertazzo M - Search Results

1

Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy.

Bertazzo M, Gobbo D, Decherchi S, Cavalli A. Bertazzo M, et al. J Chem Theory Comput. 2021 Aug 10;17(8):5287-5300. doi: 10.1021/acs.jctc.1c00177. Epub 2021 Jul 14. J Chem Theory Comput. 2021. PMID: 34260233 Free PMC article.

2

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: bertazzo m. Molecules. 2017 Nov 22;22(11):2029. doi: 10.3390/molecules22112029. Molecules. 2017. PMID: 29165360 Free PMC article. Review.

3

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

Bertazzo M, Bernetti M, Recanatini M, Masetti M, Cavalli A. Bertazzo M, et al. 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

4

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: bertazzo 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

5

Probabilistic Pocket Druggability Prediction via One-Class Learning.

Aguti R, Gardini E, Bertazzo M, Decherchi S, Cavalli A. Aguti R, et al. Among authors: bertazzo m. Front Pharmacol. 2022 Jun 29;13:870479. doi: 10.3389/fphar.2022.870479. eCollection 2022. Front Pharmacol. 2022. PMID: 35847005 Free PMC article.

6

Probing the transport of Ni(II) ions through the internal tunnels of the Helicobacter pylori UreDFG multimeric protein complex.

Masetti M, Bertazzo M, Recanatini M, Ciurli S, Musiani F. Masetti M, et al. Among authors: bertazzo m. J Inorg Biochem. 2021 Oct;223:111554. doi: 10.1016/j.jinorgbio.2021.111554. Epub 2021 Jul 22. J Inorg Biochem. 2021. PMID: 34325209

7

Data-Driven Molecular Dynamics: A Multifaceted Challenge.

Bernetti M, Bertazzo M, Masetti M. Bernetti M, et al. Among authors: bertazzo m. Pharmaceuticals (Basel). 2020 Sep 18;13(9):253. doi: 10.3390/ph13090253. Pharmaceuticals (Basel). 2020. PMID: 32961909 Free PMC article. Review.

8

Selective Isolation and Identification of Microorganisms with Dual Capabilities: Leather Biodegradation and Heavy Metal Resistance for Industrial Applications.

Bonilla-Espadas M, Zafrilla B, Lifante-Martínez I, Camacho M, Orgilés-Calpena E, Arán-Aís F, Bertazzo M, Bonete MJ. Bonilla-Espadas M, et al. Among authors: bertazzo m. Microorganisms. 2024 May 20;12(5):1029. doi: 10.3390/microorganisms12051029. Microorganisms. 2024. PMID: 38792858 Free PMC article.

9

Zootoxins and Domestic Animals: A European View.

Nagy AL, Ardelean S, Chapuis RJJ, Bouillon J, Pivariu D, De Felice B, Bertazzo M, Fossati P, Spicer LJ, Dreanca AI, Caloni F. Nagy AL, et al. Among authors: bertazzo m. Toxins (Basel). 2024 Jan 16;16(1):48. doi: 10.3390/toxins16010048. Toxins (Basel). 2024. PMID: 38251264 Free PMC article. Review.

10

Geodermatophilus brasiliensis sp. nov., isolated from Brazilian soil.

Bertazzo M, Montero-Calasanz MDC, Martinez-Garcia M, Spröer C, Schumann P, Kroppenstedt RM, Stackebrandt E, Klenk HP, Fiedler HP. Bertazzo M, et al. Int J Syst Evol Microbiol. 2014 Aug;64(Pt 8):2841-2848. doi: 10.1099/ijs.0.062844-0. Epub 2014 May 28. Int J Syst Evol Microbiol. 2014. PMID: 24871776

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