Dario Estrin

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Marcelo MartiProf of Biological Chemistry, University of Buenos AiresEmail verificata su qi.fcen.uba.ar
Fabio DoctorovichProfesor (UBA)Email verificata su qi.fcen.uba.ar
Alejandro CrespoComp. Chem. EMD SeronoEmail verificata su emdserono.com
Javier LuqueUniversity of Barcelona - Institut of BiomedicineEmail verificata su ub.edu
Damian ScherlisUniversidad de Buenos AiresEmail verificata su qi.fcen.uba.ar
Adrian TurjanskiProfessor of Bioinformatics, Department of Biological Chemistry, University of Buenos AiresEmail verificata su qi.fcen.uba.ar
Adrian RoitbergUniversity of Florida, Chemistry DepartmentEmail verificata su ufl.edu
Damian BikielINQUIMAE-CONICETEmail verificata su qi.fcen.uba.ar
Sara E. BariInstituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE) - UBA / CONICETEmail verificata su qi.fcen.uba.ar
Alejandro Daniel NadraUBA - CONICETEmail verificata su qi.fcen.uba.ar
Giulietta SmulevichUniversità di FirenzeEmail verificata su unifi.it
Juan Pablo BustamanteUniversidad de Buenos AiresEmail verificata su qi.fcen.uba.ar
Carlos M GuardiaPostdoctoral Fellow, NICHD/NIH, Bethesda (MD), USAEmail verificata su nih.gov
Martino BolognesiProfessor of Biochemistry, University of MilanoEmail verificata su unimi.it
Gabriel RabinovichInstituto de Biología y Medicina Experimental, CONICET and University of Buenos Aires, ArgentinaEmail verificata su ibyme.conicet.gov.ar
Alessandro FeisDepartment of Chemistry "Ugo Schiff", University of Florence, ItalyEmail verificata su unifi.it
Pablo De BiaseUniversity of CalgaryEmail verificata su ucalgary.ca
Cinzia VerdeNational Research CouncilEmail verificata su ibp.cnr.it
Daniel H. MurgidaINQUIMAE, University of Buenos Aires (FCEN-UBA) and CONICETEmail verificata su qi.fcen.uba.ar
Cristiano Viappianiprofessore di fisica applicata, Università di ParmaEmail verificata su unipr.it

Dario Estrin

university of buenos aires (UBA)- INQUIMAE - CONICET

Email verificata su qi.fcen.uba.ar

computational biochemistry


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
When galectins recognize glycans: from biochemistry to physiology and back again S Di Lella, V Sundblad, JP Cerliani, CM Guardia, DA Estrin, GR Vasta, ... Biochemistry 50 (37), 7842-7857, 2011	247	2011
Small clusters of water molecules using density functional theory DA Estrin, L Paglieri, G Corongiu, E Clementi The Journal of Physical Chemistry 100 (21), 8701-8711, 1996	240	1996
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	172	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	141	2003
The catalytic mechanism of peptidylglycine α-hydroxylating monooxygenase investigated by computer simulation A Crespo, MA Martí, AE Roitberg, LM Amzel, DA Estrin Journal of the American Chemical Society 128 (39), 12817-12828, 2006	135	2006
pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pK_as: The Case of Nitrophorin 4 NV Di Russo, DA Estrin, MA Martí, AE Roitberg PLoS computational biology 8 (11), e1002761, 2012	127	2012
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism A Crespo, MA Martí, SG Kalko, A Morreale, M Orozco, JL Gelpi, FJ Luque, ... Journal of the American Chemical Society 127 (12), 4433-4444, 2005	122	2005
Multiple-steering QM− MM calculation of the free energy profile in chorismate mutase A Crespo, MA Martí, DA Estrin, AE Roitberg Journal of the American Chemical Society 127 (19), 6940-6941, 2005	119	2005
Aromatic–aromatic interactions in proteins: beyond the dimer E Lanzarotti, RR Biekofsky, DA Estrin, MA Marti, AG Turjanski Journal of chemical information and modeling 51 (7), 1623-1633, 2011	116	2011
Discrimination of nitroxyl and nitric oxide by water-soluble Mn (III) porphyrins MA Martí, SE Bari, DA Estrin, F Doctorovich Journal of the American Chemical Society 127 (13), 4680-4684, 2005	116	2005
Evidence for a ferryl intermediate in a heme-based dioxygenase A Lewis-Ballester, D Batabyal, T Egawa, C Lu, Y Lin, MA Marti, L Capece, ... Proceedings of the National Academy of Sciences 106 (41), 17371-17376, 2009	109	2009
Ligand‐induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin‐N A Bidon‐Chanal, MA Martí, A Crespo, M Milani, M Orozco, M Bolognesi, ... Proteins: Structure, Function, and Bioinformatics 64 (2), 457-464, 2006	105	2006
Dioxygen affinity in heme proteins investigated by computer simulation MA Marti, A Crespo, L Capece, L Boechi, DE Bikiel, DA Scherlis, ... Journal of inorganic biochemistry 100 (4), 761-770, 2006	99	2006
Scavenging of NO by melatonin AG Turjanski, F Leonik, DA Estrin, RE Rosenstein, F Doctorovich Journal of the American Chemical Society 122 (42), 10468-10469, 2000	96	2000
Heme protein oxygen affinity regulation exerted by proximal effects L Capece, MA Marti, A Crespo, F Doctorovich, DA Estrin Journal of the American Chemical Society 128 (38), 12455-12461, 2006	90	2006
Reactions of melatonin and related indoles with free radicals: a computational study AG Turjanski, RE Rosenstein, DA Estrin Journal of medicinal chemistry 41 (19), 3684-3689, 1998	90	1998
Structure and spin‐state energetics of an iron porphyrin model: An assessment of theoretical methods DA Scherlis, DA Estrin International journal of quantum chemistry 87 (3), 158-166, 2002	89	2002
Isomerization, melting, and polarity of model water clusters: and J Rodriguez, D Laria, EJ Marceca, DA Estrin The Journal of chemical physics 110 (18), 9039-9047, 1999	89	1999
Fast nitroxyl trapping by ferric porphyrins SE Bari, MA Martí, VT Amorebieta, DA Estrin, F Doctorovich Journal of the American Chemical Society 125 (50), 15272-15273, 2003	88	2003
Spectroscopy in complex environments from QM–MM simulations UN Morzan, DJ Alonso de Armino, NO Foglia, F Ramirez, ... Chemical reviews 118 (7), 4071-4113, 2018	83	2018

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