3-Nitrotyrosine and related derivatives in proteins: precursors, radical intermediates and impact in function N Campolo, FM Issoglio, DA Estrin, S Bartesaghi, R Radi Essays in biochemistry 64 (1), 111-133, 2020 | 58 | 2020 |
A computational investigation of the reactions of tyrosyl, tryptophanyl, and cysteinyl radicals with nitric oxide and molecular oxygen FN Pedron, S Bartesaghi, DA Estrin, R Radi, A Zeida Free Radical Research 53 (1), 18-25, 2019 | 7 | 2019 |
A density functional study of tautomerism of uracil and cytosine DA Estrin, L Paglieri, G Corongiu The Journal of Physical Chemistry 98 (22), 5653-5660, 1994 | 175 | 1994 |
A DFT-based QM-MM approach designed for the treatment of large molecular systems: Application to chorismate mutase A Crespo, DA Scherlis, MA Martí, P Ordejón, AE Roitberg, DA Estrin The Journal of Physical Chemistry B 107 (49), 13728-13736, 2003 | 155 | 2003 |
A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion LL Perissinotti, MA Marti, F Doctorovich, FJ Luque, DA Estrin Biochemistry 47 (37), 9793-9802, 2008 | 71 | 2008 |
A New DFT/QM-MM Approach Designed for the Treatment of LargeMolecular Systems: Insights and Applications D Scherlis, M Marti, A Crespo, D Estrin, A Roitberg, P Ordejon APS March Meeting Abstracts 2003, G9. 014, 2003 | | 2003 |
A quantitative model for oxygen uptake and release in a family of hemeproteins JP Bustamante, ME Szretter, M Sued, MA Martí, DA Estrin, L Boechi Bioinformatics 32 (12), 1805-1813, 2016 | 16 | 2016 |
A surprisingly stable S-nitrosothiol complex LL Perissinotti, DA Estrin, G Leitus, F Doctorovich Journal of the American Chemical Society 128 (8), 2512-2513, 2006 | 67 | 2006 |
A Unique Family of Stable and Water-Soluble S-Nitrosothiol Complexes LL Perissinotti, G Leitus, L Shimon, D Estrin, F Doctorovich Inorganic chemistry 47 (11), 4723-4733, 2008 | 29 | 2008 |
A unique mode of coenzyme A binding to the nucleotide binding pocket of human metastasis suppressor NME1 MA Tossounian, SD Hristov, JA Semelak, BYK Yu, M Baczynska, Y Zhao, ... International Journal of Molecular Sciences 24 (11), 9359, 2023 | 1 | 2023 |
Ab initio study of NMR 15N chemical shift differences induced by Ca2+ binding to EF-hand proteins RR Biekofsky, AG Turjanski, DA Estrin, J Feeney, A Pastore Biochemistry 43 (21), 6554-6564, 2004 | 21 | 2004 |
Accelerating DFT calculations using the Graphical Processor Unit M Nitsche, MG Lebrero, D Estrín Jornadas Argentinas de Informática-JAIIO HPC, 2008 | 1 | 2008 |
Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata FM Boubeta, SE Bari, DA Estrin, L Boechi The Journal of Physical Chemistry B 120 (36), 9642-9653, 2016 | 28 | 2016 |
Accurate non-local electron—argon pseudopotential for condensed phase simulation DA Estrin, C Tsoo, SJ Singer Chemical physics letters 184 (5-6), 571-578, 1991 | 18 | 1991 |
Acidity and nucleophilic reactivity of glutathione persulfide D Benchoam, JA Semelak, E Cuevasanta, M Mastrogiovanni, ... Journal of Biological Chemistry 295 (46), 15466-15481, 2020 | 85 | 2020 |
Acidity and Nucleophilicity of Persulfides D Benchoam, E Cuevasanta, JA Semelak, M Mastrogiovanni, ... Free Radical Biology and Medicine 159, S18-S19, 2020 | | 2020 |
Activation Parameters of a Peroxiredoxin From Mycobacterium Tuberculosis AM Reyes, A Zeida, M Hugo, D Estrin, R Radi, M Trujillo Free Radical Biology and Medicine, S150, 2011 | | 2011 |
Alternative treatment of rotational quantum systems DA Estrín, FM Fernández, EA Castro Zeitschrift für Physik D Atoms, Molecules and Clusters 14, 51-55, 1989 | 1 | 1989 |
AM1 study of the ground and excited state potential energy surfaces of symmetric carbocyanines J Rodriguez, D Scherlis, D Estrin, PF Aramendía, RM Negri The Journal of Physical Chemistry A 101 (37), 6998-7006, 1997 | 63 | 1997 |
An ab initio path integral Monte Carlo simulation method for molecules and clusters: Application to and RO Weht, J Kohanoff, DA Estrin, C Chakravarty The Journal of chemical physics 108 (21), 8848-8858, 1998 | 45 | 1998 |