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hemoprotein
32
"Mechanism of Sulfide Binding by Ferric Hemeproteins" (2018) Boubeta, F.M.;Bieza, S.A.;Bringas, M. (...)Bari, S.E. Inorganic Chemistry. 57(13):7591-7600
"Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata" (2016) Boubeta, F.M.; Bari, S.E.; Estrin, D.A.; Boechi, L. Journal of Physical Chemistry B. 120(36):9642-9653
"A quantitative model for oxygen uptake and release in a family of hemeproteins" (2016) Bustamante, J.P.;Szretter, M.E.;Sued, M. (...)Boechi, L. Bioinformatics. 32(12):1805-1813
"Reactivity of inorganic sulfide species toward a heme protein model" (2015) Bieza, S.A.;Boubeta, F.;Feis, A. (...)Bari, S.E. Inorganic Chemistry. 54(2):527-533
"Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework" (2014) Morzan, U.N.;Ramírez, F.F.;Oviedo, M.B. (...)Lebrero, M.C.G. Journal of Chemical Physics. 140(16)
"Underlying Thermodynamics of pH-Dependent Allostery" (2014) Di Russo, N.V.; Martí, M.A.; Roitberg, A.E. Journal of Physical Chemistry B. 118(45):12818-12826
"The role of protein dynamics and thermal fluctuations in regulating cytochrome c/cytochrome c oxidase electron transfer" (2014) Alvarez-Paggi, D.; Zitare, U.; Murgida, D.H. Biochimica et Biophysica Acta - Bioenergetics. 1837(7):1196-1207
"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738
"The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin" (2013) Ferreiro, D.N.; Boechi, L.; Estrin, D.A.; Martí, M.A. Journal of Inorganic Biochemistry. 119:75-84
"Protein dynamics and ligand migration interplay as studied by computer simulation" (2011) Arroyo-Mañez, P.;Bikiel, D.E.;Boechi, L. (...)Petruk, A.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1814(8):1054-1064
"Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins" (2011) Forti, F.; Boechi, L.; Estrin, D.A.; Marti, M.A. Journal of Computational Chemistry. 32(10):2219-2231
"Fluoride as a probe for h-bonding interactions in the active site of heme proteins: The case of thermobifida fusca hemoglobin" (2011) Nicoletti, F.P.;Droghetti, E.;Boechi, L. (...)Smulevich, G. Journal of the American Chemical Society. 133(51):20970-20980
"Role of heme distortion on oxygen affinity in heme proteins: The protoglobin case" (2010) Bikiel, D.E.;Forti, F.;Boechi, L. (...)Estrin, D.A. Journal of Physical Chemistry B. 114(25):8536-8543
"Molecular basis for the ph dependent structural transition of nitrophorin 4" (2009) Martí, M.A.; Estrin, D.A.; Roitberg, A.E. Journal of Physical Chemistry B. 113(7):2135-2142
"Molecular basis for the electric field modulation of cytochrome c structure and function" (2009) De Biase, P.M.;Paggi, D.A.;Doctorovich, F. (...)Marti, M.A. Journal of the American Chemical Society. 131(44):16248-16256
"Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O" (2008) Boechi, L.;Martí, M.A.;Milani, M. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 73(2):372-379
"Bond or cage effect: How nitrophorins transport and release nitric oxide" (2008) Martí, M.A.; González Lebrero, M.C.; Roitberg, A.E.; Estrin, D.A. Journal of the American Chemical Society. 130(5):1611-1618
"Disentangling interfacial redox processes of proteins by SERR spectroscopy" (2008) Murgida, D.H.; Hildebrandt, P. Chemical Society Reviews. 37(5):937-945
"Exploring the molecular basis of heme coordination in human neuroglobin" (2008) Nadra, A.D.;Martí, M.A.;Pesce, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 71(2):695-705
"Current status and progress made in malaria chemotherapy" (2007) Liñares, G.E.G.; Rodriguez, J.B. Current Medicinal Chemistry. 14(3):289-314
"Dioxygen affinity in heme proteins investigated by computer simulation" (2006) Marti, M.A.;Crespo, A.;Capece, L. (...)Estrin, D.A. Journal of Inorganic Biochemistry. 100(4):761-770
"Modeling heme proteins using atomistic simulations" (2006) Bikiel, D.E.;Boechi, L.;Capece, L. (...)Estrin, D.A. Physical Chemistry Chemical Physics. 8(48):5611-5628
"Heme protein oxygen affinity regulation exerted by proximal effects" (2006) Capece, L.;Marti, M.A.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 128(38):12455-12461
"CYP2D6 polymorphisms in patients with porphyrias" (2006) Lavandera, J.V.; Parera, V.E.; Batlle, A.; Buzaleh, A.M. Molecular Medicine. 12(9-10):259-263
"Nitric oxide interaction with cytochrome c′ and its relevance to guanylate cyclase. Why does the iron histidine bond break?" (2005) Martí, M.A.;Capece, L.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 127(21):7721-7728
"Modulation of the NO trans effect in heme proteins: Implications for the activation of soluble guanylate cyclase" (2003) Martí, M.A.;Scherlis, D.A.;Doctorovich, F.A. (...)Estrin, D.A. Journal of Biological Inorganic Chemistry. 8(6):595-600
"Drug metabolizing enzyme system and heme pathway in hepatocarcinogenesis" (1999) Vazquez, E.;Gerez, E.;Caballero, F. (...)Batlle, A. Cancer Biochemistry Biophysics. 17(1-2):25-34
"The photodynamic and non-photodynamic actions of porphyrins" (1999) Afonso, S.C.; Enríquez De Salamanca, R.; Del C. Batlle, A.M. Brazilian Journal of Medical and Biological Research. 32(3):255-266
"Regulation of testicular steroidogenesis by nitric oxide" (1997) Del Punta, K.; Sanchez-Ruiz, M.E.; Pignataro, O.P. Medicina. 57(3):337-340
"Nitric oxide inhibits leydig cell steroidogenesis" (1996) Del Punta, K.; Charreau, E.H.; Pignataro, O.P. Endocrinology. 137(12):5337-5343