Pedebos C - Search Results

1

Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids.

Arantes PR, Polêto MD, John EBO, Pedebos C, Grisci BI, Dorn M, Verli H. Arantes PR, et al. Among authors: pedebos c. J Phys Chem B. 2019 Feb 7;123(5):994-1008. doi: 10.1021/acs.jpcb.8b10139. Epub 2019 Jan 25. J Phys Chem B. 2019. PMID: 30624922

2

Unrestrained conformational characterization of Stenocereus eruca saponins in aqueous and nonaqueous solvents.

Pedebos C, Pol-Fachin L, Verli H. Pedebos C, et al. J Nat Prod. 2012 Jun 22;75(6):1196-200. doi: 10.1021/np3000393. Epub 2012 Jun 13. J Nat Prod. 2012. PMID: 22694358

3

Improving the thrombin inhibitory activity of glycyrrhizin, a triterpenic saponin, through a molecular simplification of the carbohydrate moiety.

de Paula FT, Frauches PQ, Pedebos C, Berger M, Gnoatto SC, Gossmann G, Verli H, Guimarães JA, Graebin CS. de Paula FT, et al. Among authors: pedebos c. Chem Biol Drug Des. 2013 Dec;82(6):756-60. doi: 10.1111/cbdd.12204. Epub 2013 Oct 25. Chem Biol Drug Des. 2013. PMID: 23964664

4

Atomic model and micelle dynamics of QS-21 saponin.

Pedebos C, Pol-Fachin L, Pons R, Teixeira CV, Verli H. Pedebos C, et al. Molecules. 2014 Mar 24;19(3):3744-60. doi: 10.3390/molecules19033744. Molecules. 2014. PMID: 24662086 Free PMC article.

5

In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination.

Pedebos C, Arantes PR, Giesel GM, Verli H. Pedebos C, et al. Glycobiology. 2015 Nov;25(11):1183-95. doi: 10.1093/glycob/cwv053. Epub 2015 Jul 28. Glycobiology. 2015. PMID: 26220543

6

The role of Zn2+, dimerization and N-glycosylation in the interaction of Auxin-Binding Protein 1 (ABP1) with different auxins.

da Costa CT, Pedebos C, Verli H, Fett-Neto AG. da Costa CT, et al. Among authors: pedebos c. Glycobiology. 2017 Dec 1;27(12):1109-1119. doi: 10.1093/glycob/cwx080. Glycobiology. 2017. PMID: 28973586

7

Dynamics of DDB2-DDB1 complex under different naturally-occurring mutants in Xeroderma Pigmentosum disease.

Feltes BC, Pedebos C, Bonatto D, Verli H. Feltes BC, et al. Among authors: pedebos c. Biochim Biophys Acta Gen Subj. 2018 Dec;1862(12):2579-2589. doi: 10.1016/j.bbagen.2018.08.007. Epub 2018 Aug 6. Biochim Biophys Acta Gen Subj. 2018. PMID: 30251654 Free article.

8

The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains.

Arantes PR, Pedebos C, Polêto MD, Pol-Fachin L, Verli H. Arantes PR, et al. Among authors: pedebos c. J Chem Inf Model. 2020 Feb 24;60(2):631-643. doi: 10.1021/acs.jcim.9b00904. Epub 2019 Dec 10. J Chem Inf Model. 2020. PMID: 31769974

9

Modifying the catalytic preference of alpha-amylase toward n-alkanes for bioremediation purposes using in silico strategies.

Pinto ÉSM, Feltes BC, Pedebos C, Dorn M. Pinto ÉSM, et al. Among authors: pedebos c. J Comput Chem. 2021 Aug 15;42(22):1540-1551. doi: 10.1002/jcc.26562. Epub 2021 May 20. J Comput Chem. 2021. PMID: 34018199

10

Making it Rain: Cloud-Based Molecular Simulations for Everyone.

Arantes PR, Polêto MD, Pedebos C, Ligabue-Braun R. Arantes PR, et al. Among authors: pedebos c. J Chem Inf Model. 2021 Oct 25;61(10):4852-4856. doi: 10.1021/acs.jcim.1c00998. Epub 2021 Oct 1. J Chem Inf Model. 2021. PMID: 34595915

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