Dario Estrin

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Marcelo MartiProf of Biological Chemistry, University of Buenos AiresPatvirtintas el. paštas qi.fcen.uba.ar
Leonardo BoechiUniversity of Buenos AiresPatvirtintas el. paštas aristas.com.ar
Fabio DoctorovichUniversity of Buenos Aires | UBA · FCEN | INQUIMAE · CONICETPatvirtintas el. paštas qi.fcen.uba.ar
Alejandro CrespoAmgenPatvirtintas el. paštas amgen.com
Javier LuqueUniversity of Barcelona - Institut of BiomedicinePatvirtintas el. paštas ub.edu
Ari ZeidaDepartamento de Bioquímica y Centro de Investigaciones Biomédicas, Facultad de Medicina, UniversidadPatvirtintas el. paštas fmed.edu.uy
Sara E. BariInstituto de Química Física de los Materiales, Medio Ambiente y Energía (INQUIMAE) - UBA / CONICETPatvirtintas el. paštas qi.fcen.uba.ar
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Patvirtintas el. paštas ufl.edu
Damian ScherlisUniversidad de Buenos AiresPatvirtintas el. paštas qi.fcen.uba.ar
Adrian TurjanskiProfessor of Bioinformatics, Department of Biological Chemistry, University of Buenos AiresPatvirtintas el. paštas qb.fcen.uba.ar
Damian BikielINQUIMAE-CONICETPatvirtintas el. paštas qi.fcen.uba.ar
Giulietta SmulevichUniversità di FirenzePatvirtintas el. paštas unifi.it
Juan Pablo BustamanteUniversidad de Buenos AiresPatvirtintas el. paštas qi.fcen.uba.ar
Alejandro Daniel NadraUBA - CONICETPatvirtintas el. paštas qi.fcen.uba.ar
Alessandro FeisDepartment of Chemistry "Ugo Schiff", University of Florence, ItalyPatvirtintas el. paštas unifi.it
Alberto BoffiSapienza UniversityPatvirtintas el. paštas uniroma1.it
Carlos M GuardiaHead of the Placental Cell Biology Group, NIEHS/NIH, Durham (NC), USAPatvirtintas el. paštas nih.gov
Luca PaglieriPolitecnico di MilanoPatvirtintas el. paštas polimi.it
Gabriel RabinovichInstituto de Biología y Medicina Experimental, CONICET and University of Buenos Aires, ArgentinaPatvirtintas el. paštas ibyme.conicet.gov.ar
Cinzia VerdeNational Research CouncilPatvirtintas el. paštas ibp.cnr.it

Stebėti

Dario Estrin

university of buenos aires (UBA)- INQUIMAE - CONICET

Patvirtintas el. paštas qi.fcen.uba.ar

computational biochemistry


Pavadinimas Rūšiuoti pagal šaltinius Rūšiuoti pagal metus Rūšiuoti pagal pavadinimą	Cituota Cituota	Metai
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	347	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	236	1996
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	190	2012
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	188	2018
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	173	1994
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	157	2006
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	156	2003
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	148	2011
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	145	2009
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	142	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	132	2005
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	131	2005
Naturally occurring fluorescence in frogs C Taboada, AE Brunetti, FN Pedron, F Carnevale Neto, DA Estrin, SE Bari, ... Proceedings of the National Academy of Sciences 114 (14), 3672-3677, 2017	127	2017
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	116	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	108	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	103	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	101	2006
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	100	2003
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	100	1998
Acidity and nucleophilic reactivity of glutathione persulfide D Benchoam, JA Semelak, E Cuevasanta, M Mastrogiovanni, ... Journal of Biological Chemistry 295 (46), 15466-15481, 2020	99	2020

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