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Hugo Verli - Publications

Affiliations: 
Centro de Biotecnologia Universidade Federal do Rio Grande do Sul, Porto Alegre, Rio Grande do Sul, Brazil 
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23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Fontana C, de Meirelles JL, Verli H. Theoretical models of staurosporine and analogs uncover detailed structural information in biological solution. Journal of Molecular Graphics & Modelling. 126: 108653. PMID 37922640 DOI: 10.1016/j.jmgm.2023.108653  0.348
2023 Arend LB, Verli H. Revisiting the structural basis for biological activity of GMI-1070, a sialyl Lewis mimetic. Carbohydrate Research. 529: 108829. PMID 37182470 DOI: 10.1016/j.carres.2023.108829  0.31
2020 Rusu VH, Santos DES, Poleto MD, Galheigo MM, Gomes ATA, Verli H, Soares TA, Lins RD. Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations. Journal of Chemical Information and Modeling. 60: 5923-5927. PMID 33213140 DOI: 10.1021/acs.jcim.0c01168  0.665
2020 Polêto MD, Grisci BI, Dorn M, Verli H. ConfID: an analytical method for conformational characterization of small molecules using molecular dynamics trajectories. Bioinformatics (Oxford, England). 36: 3576-3577. PMID 32105299 DOI: 10.1093/Bioinformatics/Btaa130  0.686
2020 Arantes PR, Pedebos C, Polêto MD, Pol-Fachin L, Verli H. The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains. Journal of Chemical Information and Modeling. 60: 631-643. PMID 31769974 DOI: 10.1021/Acs.Jcim.9B00904  0.705
2019 Arantes PR, Polêto MD, John EBO, Pedebos C, Grisci BI, Dorn M, Verli H. Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids. The Journal of Physical Chemistry. B. PMID 30624922 DOI: 10.1021/Acs.Jpcb.8B10139  0.717
2018 Tesch R, Becker C, Müller MP, Beck ME, Quambusch L, Getlik M, Lategahn J, Uhlenbrock N, Costa FN, Polêto MD, de Sena Murteira Pinheiro P, Rodrigues DA, Sant'Anna CM, Ferreira FF, Verli H, et al. An Unusual Intramolecular Halogen Bond guides Conformational Selection. Angewandte Chemie (International Ed. in English). PMID 29873877 DOI: 10.1002/Anie.201804917  0.667
2018 Polêto MD, Rusu VH, Grisci BI, Dorn M, Lins RD, Verli H. Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities. Frontiers in Pharmacology. 9: 395. PMID 29740321 DOI: 10.3389/Fphar.2018.00395  0.695
2018 Arantes PR, Pérez-Sánchez H, Verli H. Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents. Journal of Biomolecular Structure & Dynamics. 36: 4045-4056. PMID 29173042 DOI: 10.1080/07391102.2017.1407259  0.656
2016 Lima RN, Faheem M, Barbosa JA, Polêto MD, Verli H, Melo FL, Resende RO. Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein. Bmc Bioinformatics. 17: 489. PMID 28105914 DOI: 10.1186/S12859-016-1339-4  0.663
2016 Ramos CI, Figueira F, Polêto MD, Amado FM, Verli H, Tomé JP, Neves MG. ESI-MS/MS of expanded porphyrins: a look into their structure and aromaticity. Journal of Mass Spectrometry : Jms. 51: 342-9. PMID 27194518 DOI: 10.1002/Jms.3760  0.639
2016 Figueira F, Farinha AS, Muteto PV, Polêto MD, Verli H, Gomes MT, Tomé AC, Cavaleiro JA, Tomé JP. [28]Hexaphyrin derivatives for anion recognition in organic and aqueous media. Chemical Communications (Cambridge, England). 52: 2181-4. PMID 26725320 DOI: 10.1039/C5Cc08128A  0.67
2015 Pedebos C, Arantes PR, Giesel GM, Verli H. In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination. Glycobiology. 25: 1183-95. PMID 26220543 DOI: 10.1093/glycob/cwv053  0.572
2015 Chaves Valadão AL, Abreu CM, Dias JZ, Arantes P, Verli H, Tanuri A, de Aguiar RS. Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity. Molecules (Basel, Switzerland). 20: 11474-89. PMID 26111177 DOI: 10.3390/molecules200611474  0.581
2014 Schachter J, Valadao AL, Aguiar RS, Barreto-de-Souza V, Rossi AD, Arantes PR, Verli H, Quintana PG, Heise N, Tanuri A, Bou-Habib DC, Persechini PM. 2´,3´-Dialdehyde of ATP, ADP, and adenosine inhibit HIV-1 reverse transcriptase and HIV-1 replication. Current Hiv Research. 12: 347-58. PMID 25174839  0.564
2014 Arantes PR, Sachett LG, Graebin CS, Verli H. Conformational characterization of ipomotaosides and their recognition by COX-1 and 2. Molecules (Basel, Switzerland). 19: 5421-33. PMID 24879586 DOI: 10.3390/molecules19045421  0.618
2012 Pedebos C, Pol-Fachin L, Verli H. Unrestrained conformational characterization of Stenocereus eruca saponins in aqueous and nonaqueous solvents. Journal of Natural Products. 75: 1196-200. PMID 22694358 DOI: 10.1021/np3000393  0.316
2011 Silva Vde A, Cargnelutti MT, Giesel GM, Palmieri LC, Monteiro RQ, Verli H, Lima LM. Structure and behavior of human α-thrombin upon ligand recognition: thermodynamic and molecular dynamics studies. Plos One. 6: e24735. PMID 21935446 DOI: 10.1371/journal.pone.0024735  0.302
2010 Pol-Fachin L, Serrato RV, Verli H. Solution conformation and dynamics of exopolysaccharides from Burkholderia species. Carbohydrate Research. 345: 1922-31. PMID 20633874 DOI: 10.1016/j.carres.2010.06.010  0.324
2009 Pol-Fachin L, Fraga CA, Barreiro EJ, Verli H. Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives. Journal of Molecular Graphics & Modelling. 28: 446-54. PMID 19942466 DOI: 10.1016/j.jmgm.2009.10.004  0.326
2009 Pol-Fachin L, Fernandes CL, Verli H. GROMOS96 43a1 performance on the characterization of glycoprotein conformational ensembles through molecular dynamics simulations. Carbohydrate Research. 344: 491-500. PMID 19185293 DOI: 10.1016/j.carres.2008.12.025  0.32
2005 Verli H, Guimarães JA. Insights into the induced fit mechanism in antithrombin-heparin interaction using molecular dynamics simulations. Journal of Molecular Graphics & Modelling. 24: 203-12. PMID 16146701 DOI: 10.1016/j.jmgm.2005.07.002  0.322
2004 Verli H, Guimarães JA. Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution. Carbohydrate Research. 339: 281-90. PMID 14698886 DOI: 10.1016/j.carres.2003.09.026  0.319
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