Publications

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  1. Thiol redox biochemistry: Insights from computer simulations Ari Zeida, Carlos M. Guardia, Pablo Lichtig, Laura L. Perissinotti, Lucas A. Defelipe, Adrián Turjanski, Rafael Radi, Madia Trujillo, Darío A. Estrin Biophysical Reviews March 2014, Volume 6, Issue 1, pp 27-46
  2. Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines. Cardama GA1, Comin MJ, Hornos L, Gonzalez N, Defelipe L, Turjanski AG, Alonso DF, Gomez DE, Menna LP. Anticancer Agents Med Chem. 2013 Sep 19.
  3. QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Fytochrome p450 of Mycobacterium tuberculosis Dumas VG, Defelipe LA, Petruk AA, Turjanski AG, Marti MA. Proteins. 2013 Nov 12. doi: 10.1002/prot.24474.
  4. Extracellular hydrolytic enzyme production by proteolytic bacteria from the Antarctic Tropeano, M.a, Vázquez, S.bc , Coria, S.d, Turjanski, A.ef, Cicero, D.gh, Bercovich, A.a, Mac Cormack, W. Polish Polar Research. Volume 34, Issue 3, Pages 253–267, ISSN (Online) 2081-8262, ISSN (Print) 0138-0338, DOI: 10.2478/popore-2013-0014, October 2013
  5. Molecular dynamics simulations provide atomistic insight into hydrogen exchange mass spectrometry experiments Petruk, A.A., Defelipe, L.A., Rodríguez Limardo, R.G., Bucci, H., Marti, M.A. , Turjanski, A.G. J. Chem. Theory Comput., 2013, 9 (1), pp 658–669 DOI: 10.1021/ct300519v
  6. In Silico Structural and Functional Characterization of the RSUME Splice Variants Juan Gerez, Mariana Fuertes, Lucas Tedesco, Susana Silberstein,Gustavo Sevlever, Marcelo Paez-Pereda,Florian Holsboer,Adrián G. Turjanski, Eduardo Arzt PLoS One. 2013; 8(2): e57795. Published online 2013 February 28. doi: 10.1371/journal.pone.0057795
  7. Determining Free Energies of protein-ligand binding, and association/dissociation processes using computer simulations GAUTO DF; MOLDENUTTI C; DUMAS VG; LUCIA ALVAREZ; BUSTAMANTE JP; A.G. TURJANSKI; M. MARTI World Research journal of Peptide and protein; Año: 2012 vol. 1 p. 21 – 32 http://www.bioinfopublication.org/files/articles/1_1_4_WRJPP.pdf
  8. Protein frustratometer: a tool to localize energetic JENIK, M; PARRA, G; RADUSKY LG; A.G. TURJANSKI; WOLYNES PA; FERREIRO D NUCLEIC ACIDS RESEARCH; Lugar: Oxford; Año: 2012 p. 1 – 4
  9. Culturable heterotrophic bacteria from Potter Cove, Antarctica and their hydrolytic enzymes production TROPEANO; CORIA SH; A.G. TURJANSKI; CICERO DANIEL; BERCOVICH; VAZQUEZ S POLAR RESEARCH; Lugar: Londres; Año: 2012 p. 1 – 5 http://www.polarresearch.net/index.php/polar/article/view/18507
  10. The Crystal Structure of the MAP Kinase LmaMPK10 from Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms. S HORJALES; DIRK SCHMIDT-ARRAS; RAMIRO RODRIGUEZ LIMARDO; OLIVIER LECLERCQ; GONZALO OBAL; ERIC PRINA; A.G. TURJANSKI; GERALD F. SPATH; ALEJANDRO BUSCHIAZZO STRUCTURE WITH FOLDING & DESIGN.; Lugar: United States; Año: 2012 vol. 20 p. 1649 – 1660
  11. Functional Analysis of a Mosquito Short Chain Dehydrogenase Cluster. JAIME G. MAYORAL; LEONARD, K; DEFELIPE, LA; A.G. TURJANSKI; MARCELA NOUZOVA; FERNANDO G. NORIEGA INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY; Lugar: Amsterdam; Año: 2012
  12. 1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov Smal, C., Aran, M., Lanzarotti, E , Papouchado, M., Foti, M., Marti, M.A., Coria, S.H., Vazquez, S.C., Bercovich, A., Mac Cormack, W.P., Turjanski, A.G., Gallo, M., Cicero, D.O. Biomolecular NMR Assignments. 2011, Pages 1-3
  13. Draft genome sequence of Bizionia argentinensis, isolated from Antarctic surface water. Lanzarotti, E., Pellizza, L., Bercovich, A., Foti, M., Coria, S.H., Vazquez, S.C., Ruberto, L., Hernández, E.A., Dias, R.L., Mac Cormack, W.P., Cicero, D.O., Smal, C., Nicolas, M.F., Vasconcelos, A.T., Marti, M.A., Turjanski, A.G. Journal of bacteriology. Volume 193, Issue 23, December 2011, Pages 6797-6798
  14. Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer. Lanzarotti E, Biekofsky RR, Estrin DA, Marti MA, Turjanski AG. J Chem Inf Model. 2011 Jun 27.
  15. Genome sequence of Sphingomonas sp. S17 isolated from an alkaline, hyperarsenic and hypersaline volcanic associated lake near 4000 meters above sea level in the Argentinean Puna Maria Eugenia Farias, Santiago Revale, Estefania Mancini, Omar Ordoñez, Adrian Turjanski, Néstor Cortez, and Martin P. Vazquez J. Bacteriol. doi:10.1128/JB.05225-11
  16. p38γ Activation Triggers Dynamical Changes in Allosteric Docking Sites Ramiro G. Rodriguez Limardo, Dardo N. Ferreiro, Adrin E. Roitberg, Marcelo A. Marti, and Adrian G. Turjanski Biochemistry 2011 Mar 1;50(8):1384-1395. Epub 2011 Feb 7
  17. Juvenile hormone synthesis: “esterify then epoxidize” or “epoxidize then esterify”? Insights from the structural characterization of juvenile hormone acid methyltransferase L.A. Defelipe, E. Dolghih, A.E. Roitberg, M. Nouzova, J.G. Mayoral, F.G. Noriega, A.G. Turjanski Insect Biochem Mol Biol. 2011 Apr;41(4):228-35. Epub 2010 Dec 31.
  18. Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors. Amanda P. Skoumbourdis, , Christopher A. LeClair, Eduard Stefan, Adrian G. Turjanski,William Maguire, Steven A. Titus, Ruili Huang, Douglas S. Auld, James Inglese, Christopher P. Austin, Stephen W. Michnick,Menghang Xia, Craig J. Thomas Bioorg Med Chem Lett. 2009 Jul 1;19(13):3686-92. Epub 2009 Jan 23.
  19. How Mitogen-Activated Protein Kinases Recognize and Phosphorylate Their Targets: A QM/MM Study. A. G. Turjanski*, G. Hummer, J. S. Gutkind, J. Am. Chem. Soc. May 6;131(17):6141-8.
  20. Molecular and functional characterization of a juvenile hormone acid methyltransferase expressed in the corpora allata of mosquitoes. Mayoral JG, Nouzova M, Yoshiyama M, Shinoda T, Hernandez-Martinez S, Dolghih E, Turjanski AG, Roitberg AE, Priestap H, Perez M, Mackenzie L, Li Y, Noriega FG. Insect Biochem Mol Biol. 2009 Jan;39(1):31-7
  21. Binding Induced Folding of a Natively Unstructured Transcription Factor. A. G. Turjanski, J. S. Gutkind, R. Best, G. Hummer. PLoS Comput Biol. 2008 Apr 11;4(4):e1000060.
  22. MAP Kinases and the control of nuclear events. A. G. Turjanski, J P. Vaqué, J.S. Gutkind. Oncogene. 2007 May 14;26 (22):3240-53
  23. Investigation of the Catalytic Mechanism of Farnesyl Pyrophosphate Synthase by Computer Simulation. VM Sanchez, A. Crespo, JS. Gutkind, AG. Turjanski* J Phys Chem B. 2006 Sep 14;110(36):18052-7..
  24. Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics. L. Sigman, VM Sanchez, AG. Turjanski*. J Mol Graph Model. 2006 Nov;25(3):345-52
  25. Mechanisms of NO release by N1-nitrosomelatonin: nucleophilic attack versus reducing pathways. PM. De Biase, AG. Turjanski, DA Estrin, F. Doctorovich. J Org Chem. 2005, 70, 5790-8.
  26. Transnitrosation of Nitrosothiols: Characterization of an Elusive Intermediate. L.L Perissinoti, AG. Turjanski, D. A. Estrin and F. Doctorovich. J Am Chem Soc. 2005 Jan 19;127(2):486-7.
  27. NMR and molecular dynamic study of the interaction of melatonin with calmodulin. AG. Turjanski, Ruth E. Rosenstein, D. A. Estrin, R. R. Biekofsky, S. R. Martin, A. Pastore, V. Martorana. Protein Sci. 2004 Nov;13(11):2925-38.
  28. Ab initio study of NMR 15N chemical shift differences induced by Ca2+ binding to EF-hand proteins. AG. Turjanski, D. A. Estrin, A. Pastore, and R. R. Biekofsky . Biochemistry. 2004 Jun 1;43(21):6554-64.
  29. Electronic Spectra of Indolyl Radicals: A time dependant DFT-Study. A. Crespo, AG. Turjanski, D. Estrin. Chem. Phys. Letters, 2002, 365, 15-21.
  30. Molecular Structure Effects on the Kinetics of Hydroxyl Radical Addition to Azo Dyes. H. Destaillats, AG. Turjanski, D. A. Estrin, and M. R. Hoffmann Journal of Physical Organic Chemistry.2002, 15, 287.
  31. Physiological concentration of melatonin inhibit the nitridergic pathway in the Syriam hamster Retina. D. A. Saenz, AG.Turjanski, F. Doctorovich, D. A. Estrin, M. Marti, M.I. Keller Sarmiento, R. E. Rosenstein. J. Pineal Re. 2002, 33, 31.
  32. Structure, Solvation and Bonding In Pentacyano (L-ferrate)II ions (L=Aliphatic Amine) : A Density Functional Study. M. C. Gonzalez-Lebrero, AG. Turjanski, J. A. Olabe and D. Estrin. J. Mol. Mod. , 2001,7,201.
  33. Nitrosation of Melatonin by Nitric Oxide: A Computational Study. AG. Turjanski*, D. A. Sáenz, F. Doctorovich, D. A. Estrin, and R. E. Rosenstein. J. of Pineal Res. 2001, 31, 97-101.
  34. Scavenging of Nitric Oxide by Melatonin AG. Turjanski, F. Leonik, R. Rosenstein, D. Estrin and F. Doctorovich. Journal of The American Chemical Society, 2000, 122, 10468- 10469.
  35. Stabilization of Aliphatic and Aromatic diazonium ions by coordination: an experimental and theoretical study. F. Doctorovich, N. Escola, C. Trapani, D. A. Estrin, M. C. Gonzalez L. and A. Turjanski. Organometalics, 2000, 19, 3810.
  36. N-Nitrosomelatonin AG. Turjanski, Z. Chaia, R. Rosenstein, F. Doctorovich, D. Estrin and O. Piro. Acta Crystalographica ,2000 C56, 682-683
  37. Solvation and Conformational Properties of Melatonin: a Computational Study. AG. Turjanski, R. Rosenstein and D. Estrin. Journal of Molecular Modeling. 1999, 5, 271-280
  38. Reactions of Melatonin and Related Indols with Free Radicals: A computational Study. AG. Turjanski, R. Rosenstein and D. Estrin Journal of Medicinal Chemistry 1998, 41, 3684-368