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Luciana Capece

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Thermodynamics

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TOP 3
Uriel N Morzan; Marcelo A Marti; Luciana Capece; Darío A Estrin
Quaternary structure effects on the hexacoordination equilibrium in rice hemoglobin rHb1: insights from molecular dynamics simulations.
Luciana Capece; Darío A Estrin; Ariel Lewis-Ballester; Syun-Ru Yeh; Marcelo A Marti
Complete reaction mechanism of indoleamine 2,3-dioxygenase as revealed by QM/MM simulations.
Pau Arroyo-Mañez; Damián E Bikiel; Leonardo Boechi; Luciana Capece; Santiago Di Lella; Darío A Estrin; Marcelo A Martí; Diego M Moreno; Alejandro D Nadra; Ariel A Petruk
Protein dynamics and ligand migration interplay as studied by computer simulation.

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All Publications

2013: Uriel N Morzan; Marcelo A Marti; Luciana Capece; Darío A Estrin
Quaternary structure effects on the hexacoordination equilibrium in rice hemoglobin rHb1: insights from molecular dynamics simulations.
Proteins 2013;81(5):863-73.
2012: Luciana Capece; Darío A Estrin; Ariel Lewis-Ballester; Syun-Ru Yeh; Marcelo A Marti
Complete reaction mechanism of indoleamine 2,3-dioxygenase as revealed by QM/MM simulations.
The journal of physical chemistry. B 2012;116(4):1401-13.
2011: Pau Arroyo-Mañez; Damián E Bikiel; Leonardo Boechi; Luciana Capece; Santiago Di Lella; Darío A Estrin; Marcelo A Martí; Diego M Moreno; Alejandro D Nadra; Ariel A Petruk
Protein dynamics and ligand migration interplay as studied by computer simulation.
Biochimica et biophysica acta 2011;1814(8):1054-64.
2010: Luciana Capece; Mehrnoosh Arrar; Adrian E Roitberg; Syun-Ru Yeh; Marcelo A Marti; Darío A Estrin
Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase.
Proteins 2010;78(14):2961-72.
2010: Luciana Capece; Ariel Lewis-Ballester; Dipanwita Batabyal; Natali Di Russo; Syun-Ru Yeh; Darío A Estrin; Marcelo A Marti
The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 2010;15(6):811-23.
2009: Luciana Capece; Marcelo A Marti; Axel Bidon-Chanal; Alejandro D Nadra; F Javier Luque; Darío A Estrin
High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases.
Proteins 2009;75(4):885-94.
2008: Luciana Capece; Darío A Estrin; Marcelo A Marti
Dynamical characterization of the heme NO oxygen binding (HNOX) domain. Insight into soluble guanylate cyclase allosteric transition.
Biochemistry 2008;47(36):9416-27.
2008: Marcelo A Marti; Luciana Capece; Axel Bidon-Chanal; Alejandro Crespo; Victor Guallar; F Javier Luque; Darío A Estrin
Nitric oxide reactivity with globins as investigated through computer simulation.
Methods in enzymology 2008;437():477-98.
2007: Marcelo A Martí; Luciana Capece; Damián E Bikiel; Bruno Falcone; Darío A Estrin
Oxygen affinity controlled by dynamical distal conformations: the soybean leghemoglobin and the Paramecium caudatum hemoglobin cases.
Proteins 2007;68(2):480-7.
2006: Damián E Bikiel; Leonardo Boechi; Luciana Capece; Alejandro Crespo; Pablo M De Biase; Santiago Di Lella; Mariano C González Lebrero; Marcelo A Martí; Alejandro D Nadra; Laura L Perissinotti; Damián A Scherlis; Darío A Estrin
Modeling heme proteins using atomistic simulations.
Physical chemistry chemical physics : PCCP 2006;8(48):5611-28.
2006: Luciana Capece; Marcelo A Marti; Alejandro Crespo; Fabio Doctorovich; Darío A Estrin
Heme protein oxygen affinity regulation exerted by proximal effects.
Journal of the American Chemical Society 2006;128(38):12455-61.
2006: Marcelo A Marti; Alejandro Crespo; Luciana Capece; Leonardo Boechi; Damián E Bikiel; Damián A Scherlis; Darío A Estrin
Dioxygen affinity in heme proteins investigated by computer simulation.
Journal of inorganic biochemistry 2006;100(4):761-70.
2005: Marcelo A Martí; Luciana Capece; Alejandro Crespo; Fabio Doctorovich; Darío A Estrin
Nitric oxide interaction with cytochrome c' and its relevance to guanylate cyclase. Why does the iron histidine bond break?
Journal of the American Chemical Society 2005;127(21):7721-8.