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Hemeproteins
24
"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
"Nitrite reduction mediated by heme models. Routes to NO and HNO?" (2013) Heinecke, J.L.;Khin, C.;Pereira, J.C.M. (...)Ford, P.C. Journal of the American Chemical Society. 135(10):4007-4017
"pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pKas: The Case of Nitrophorin 4" (2012) Di Russo, N.V.; Estrin, D.A.; Martí, M.A.; Roitberg, A.E. PLoS Computational Biology. 8(11)
"Structure and dynamics of Antarctic fish neuroglobin assessed by computer simulations" (2011) Boron, I.;Russo, R.;Boechi, L. (...)Nadra, A.D. IUBMB Life. 63(3):206-213
"Antimalarial activity of new acridinone derivatives" (2011) Fernández-Calienes, A.;Pellón, R.;Docampo, M. (...)Rojas, L. Biomedicine and Pharmacotherapy. 65(3):210-214
"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
"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
"Synthesis and evaluation of 1,1′-hydrocarbylenebis(indazol-3-ols) as potential antimalarial drugs" (2009) Alho, M.M.;García-Sánchez, R.N.;Nogal-Ruiz, J.J. (...)Arán, V.J. ChemMedChem. 4(1):78-87
"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
"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
"Proximal effects in the modulation of nitric oxide synthase reactivity: A QM-MM study" (2005) Fernández, M.L.; Martí, M.A.; Crespo, A.; Estrin, D.A. Journal of Biological Inorganic Chemistry. 10(6):595-604
"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