ESPECHE, LUCIA D; SEWELL, KARL ELLIOTH; CASTRO, IGNACIO HUGO; CAPECE, LUCIANA; PIGNATARO, MARIA FLORENCIA; DAIN, LILIANA; SANTOS, JAVIER

Conformational stability, dynamics and function of human frataxin: Tryptophan side chain interplay

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS; Lugar: Amsterdam; Año: 2022 vol. 715

MARZOL, ELIANA; BORASSI, CECILIA; SARDOY, MARIANA CARIGNANI; RANOCHA, PHILIPPE; APTEKMANN, ARIEL A.; BRINGAS, MAURO; PENNINGTON, JANICE; PAEZ-VALENCIA, JULIO; PACHECO, JAVIER MARTÍNEZ; RODRÍGUEZ-GARCIA, DIANA R.; GUERRERO, YOSSMAYER DEL CARMEN RONDÓN; PERALTA, JUAN MANUEL; FLEMING, MARGARET; MISHLER-ELMORE, JOHN W.; MANGANO, SILVINA; BLANCO-HERRERA, FRANCISCA; BEDINGER, PATRICIA A.; DUNAND, CHRISTOPHE; CAPECE, LUCIANA; NADRA, ALEJANDRO D.; HELD, MICHAEL; OTEGUI, MARISA S.; ESTEVEZ, JOSÉ M.

Class III Peroxidases PRX01, PRX44, and PRX73 Control Root Hair Growth in Arabidopsis thaliana

International Journal of Molecular Sciences; Año: 2022 vol. 23

BENCHOAM, DAYANA; CUEVASANTA, ERNESTO; JULIÓ PLANA, LAIA; CAPECE, LUCIANA; BANERJEE, RUMA; ALVAREZ, BEATRIZ

Heme-Thiolate Perturbation in Cystathionine β-Synthase by Mercury Compounds

ACS Omega; Año: 2021 vol. 6 p. 2192 - 2205

MARTINEZ GRUNDMAN, J. E.; JULIÓ PLANA, L.; SCHLESSMAN, J. L.; CAPECE, LUCIANA; ESTRIN, DARÍO A.; LECOMTE, JULIETTE T.J.

Control of distal lysine coordination in a monomeric hemoglobin: A role for heme peripheral interactions

JOURNAL OF INORGANIC BIOCHEMISTRY; Lugar: Amsterdam; Año: 2021

JULIÓ PLANA, LAIA; MARTINEZ GRUNDMAN, J. E.; ESTRIN, DARÍO A.; LECOMTE, JULIETTE T.J.; CAPECE, LUCIANA

Distal lysine (de)coordination in the algal hemoglobin THB1: A combined computer simulation and experimental study

JOURNAL OF INORGANIC BIOCHEMISTRY; Lugar: Amsterdam; Año: 2021

CASTRO, IGNACIO HUGO; BRINGAS, MAURO; DONI, DAVIDE; NOGUERA, MARTIN EZEQUIEL; CAPECE, LUCIANA; ARAN, MARTÍN; BLAUSTEIN, MATÍAS; COSTANTINI, PAOLA; SANTOS, JAVIER

Relationship between activity and stability: Design and characterization of stable variants of human frataxin

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS; Año: 2020 vol. 691

JULIÓ PLANA, LAIA; NADRA, ALEJANDRO D.; ESTRIN, DARIO A.; LUQUE, F. JAVIER; CAPECE, LUCIANA

Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2019 vol. 59 p. 441 - 452

BRINGAS, MAURO; LOMBARDI, LEANDRO E.; LUQUE, F. JAVIER; ESTRIN, DARÍO A.; CAPECE, LUCIANA

Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations

Chemphyschem; Año: 2019

HERRERA, MARÍA GEORGINA; NOGUERA, MARTÍN EZEQUIEL; SEWELL, KARL ELLIOTH; AGUDELO SUÁREZ, WILLIAM ARMANDO; CAPECE, LUCIANA; KLINKE, SEBASTIÁN; SANTOS, JAVIER

Structure of the Human ACP-ISD11 Heterodimer

BIOCHEMISTRY; Lugar: Washington; Año: 2019 vol. 58 p. 4596 - 4609

MARZOL, ELIANA; BORASSI, CECILIA; BRINGAS, MAURO; SEDE, ANA; RODRÍGUEZ GARCIA, DIANA ROSA; CAPECE, LUCIANA; ESTEVEZ, JOSE M.

Filling the Gaps to Solve the Extensin Puzzle

MOLECULAR PLANT; Año: 2018 vol. 11 p. 645 - 658

JORGE, S.E.; BRINGAS, M.; PETRUK, A.A.; ARRAR, M.; MARTI, M.A.; SKAF, M.S.; COSTA, F.F.; CAPECE, L.; SONATI, M.F.; ESTRIN, D.

Understanding the molecular basis of the high oxygen affinity variant human hemoglobin Coimbra

ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS; Año: 2018 vol. 637 p. 73 - 78

BRINGAS, MAURO; PETRUK, ARIEL A.; ESTRIN, DARÍO A.; CAPECE, LUCIANA; MARTÍ, MARCELO A.

Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations

Scientific Reports; Año: 2017 vol. 7

CLAUDIA RAMIREZ; ARIEL PETRUK; MAURO BRINGAS; DARIO A. ESTRIN; ADRIAN E. ROITBERG; MARCELO A. MARTI; LUCIANA CAPECE

Coarse-Grained Simulations of Heme Proteins: Validation and Study of Large Conformational Transitions

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Lugar: Washington; Año: 2016

LEANDRO E. LOMBARDI; MARCELO A. MARTI; LUCIANA CAPECE

CG2AA: Backmapping Protein Coarse-Grained Structures

BIOINFORMATICS (OXFORD, ENGLAND); Lugar: Oxford; Año: 2015

LUCIA ALVAREZ; ARIEL LEWIS-BALLESTER; ADRIAN E. ROITBERG; DARIO A. ESTRIN; SYUN-RU YEH; MARCELO A. MARTI; LUCIANA CAPECE

Structural study of a flexible active site loop in human indoleamine 2,3-dioxygenase and its functional implications

BIOCHEMISTRY; Lugar: Washington; Año: 2015 vol. 55 p. 2785 - 2793

IGNACIO BORON; LUCIANA CAPECE; F. PENNACHIETTI,; DIANA WETZLER; S. BRUNO; S. ABBRUZZETTI; LUCIA CHISARI; F. JAVIER LUQUE; CRISTIANO VIAPPIANI; DARIO A. ESTRIN

Engineered chimeras reveal the structural basis of hexacoordination in globins: A case study of neuroglobin and myoglobin

BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS; Lugar: Amsterdam; Año: 2014 vol. 1850 p. 169 - 177

FRANCESCO MUSIANI; GIULIA ROSSETTI; LUCIANA CAPECE; THOMAS MARTIN GERGER; CRISTIAN MICHELETTI; GABRIELE VARANI; PAOLO CARLONI

Molecular dynamics simulations identify time scale of conformational changes responsible for conformational selection in molecular recognition of HIV-1 transactivation responsive RNA

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Lugar: Washington; Año: 2014 vol. 136

ALESSANDRO MARCHIORI (PRIMER AUTOR); LUCIANA CAPECE (PRIMER AUTOR); ALEJANDRO GIORGETTI (PRIMER AUTOR); PAOLO GASPARINI ; MAIK BEHRENS; PAOLO CARLONI ; WOLFGANG MEYERHOF

Coarse-Grained/Molecular Mechanics of the TAS2R38 Bitter Taste Receptor: Experimentally-Validated Detailed Structural Prediction of Agonist Binding

PLOS ONE; Lugar: San Francisco; Año: 2013 vol. 8 p. 64675 - 64675

URIEL N. MORZAN; LUCIANA CAPECE; MARCELO A. MARTI; DARIO A. ESTRIN

Quaternary structure effects on the hexacoordination equilibrium in rice hemoglobin rHb1: Insights from molecular dynamics simulations

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Lugar: New York; Año: 2013 vol. 81 p. 863 - 873

LUCIANA CAPECE; LEONARDO BOECHI; LAURA L. PERISSINOTTI; PAU ARROYO MAÑEZ; DAMIAN A. BIKIEL; GIULIETTA SMULEVICH; MARCELO A. MARTI; DARIO A. ESTRIN

Small ligand-globin interactions: Reviewing lessons derived from computer simulation

Biochimica et Biophysica Acta - Proteins and Proteomics; Año: 2013 vol. 1834 p. 1722 - 1738

MICHAEL LEGUÈBE (PRIMER AUTOR); CHUONG NGUYEN (PRIMER AUTOR); LUCIANA CAPECE (PRIMER AUTOR); ZUNG HOANG ; ALEJANDRO GIORGETTI; PAOLO CARLONI

Hybrid Molecular Mechanics/Coarse-Grained Simulations for Structural Prediction of G-Protein Coupled Receptor/ Ligand Complexes

PLOS ONE; Lugar: San Francisco; Año: 2012 vol. 7 p. 47332 - 47332

LUCIANA CAPECE; ARIEL LEWIS-BALLESTER; SYUN-RU YEH; DARIO A. ESTRIN; MARCELO A. MARTI

Complete reaction mechanism of indoleamine 2,3-dioxygenase as revealed by QM/MM simulations.

JOURNAL OF PHYSICAL CHEMISTRY B; Año: 2012 vol. 116 p. 1401 - 1413

ALESSANDRA PESCE; MARCO NARDINI; SYLVIA DEWILDE; LUCIANA CAPECE; MARCELO A. MARTI; SONIA CONDIGA; MALLORY D. SALTER; GEORGE D. BLOUIN; DARIO A. ESTRIN; PAOLO ASCENZI; LUC MOENS; MARTINO BOLOGNESI; JOHN S. OLSON

Ligand migration in the apolar tunnel of cerebratulus lacteus mini-hemoglobin

JOURNAL OF BIOLOGICAL CHEMISTRY; Lugar: Bethesda, Maryland; Año: 2011 vol. 286 p. 5347 - 5358

LUCIANA CAPECE; ARIEL LEWIS-BALLESTER; MARCELO A. MARTI; DARIO A. ESTRIN; SYUN-RU YEH

Molecular basis for the substrate stereoselectivity in tryptophan dioxygenase.

BIOCHEMISTRY; Lugar: Washington; Año: 2011 vol. 50 p. 10910 - 10918

ANÍBAL M. REYES; MARTÍN HUGO; ANDRÉS TROSTCHANSKY; LUCIANA CAPECE; RAFAEL RADI; MADIA TRUJILLO

Oxidizing substrate specificity of Mycobacterium tuberculosis alkyl hydroperoxide reductase E: Kinetics and mechanisms of oxidation and overoxidation

FREE RADICAL BIOLOGY AND MEDICINE; Lugar: Amsterdam; Año: 2011 p. 464 - 473

PAU ARROYO MAÑEZ; DAMIAN A. BIKIEL; LEONARDO BOECHI; LUCIANA CAPECE; SANTIAGO DI LELLA; DARÍO A. ESTRIN; MARCELO A. MARTI; DIEGO MORENO; ALEJANDRO D. NADRA; ARIEL PETRUK

Proteins dynamics and ligand migration interplay as studied by computer simulation

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS; Lugar: Amsterdam; Año: 2011 vol. 1814 p. 1054 - 1064

LUCIANA CAPECE; ARIEL LEWIS-BALLESTER; DIPANWITA BATABYAL; NATALI DI RUSSO; SYUN-RU YEH; DARIO 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 QM/MM Studies.

JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY; Año: 2010 vol. 15 p. 811 - 823

LUCIANA CAPECE; MEHRNOOSH ARRAR; ADRIAN E. ROITBERG; SYUN-RU YEH; MARCELO A. MARTI; DARIO A. ESTRIN

Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Año: 2010 vol. 78 p. 2961 - 2972

LUCIANA CAPECE; MARCELO A. MARTI; ALEJANDRO D. NADRA; AXEL BIDON-CHANAL; F. JAVIER LUQUE; DARIO A. ESTRIN

High Pressure Reveals Structural Determinants for Globin Hexacoordination: Neuroglobin and Myoglobin cases

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Año: 2009 vol. 75 p. 885 - 894

ARIEL LEWIS-BALLESTER; DIPANWITA BATABYAL; TSUYOSHI EGAWA; CHANGYUAN LU; YU LIN; MARCELO A. MARTI; LUCIANA CAPECE; DARIO A. ESTRIN; SYUN-RU YEH

Evidence for a ferryl intermediate in a heme-based dioxygenase

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA; Año: 2009 vol. 106 p. 17371 - 17376

LUCIANA CAPECE; DARIO A. ESTRIN; MARCELO A. MARTI

Dynamical characterization of the Heme NO Oxygen binding (HNOX) domain. Insight into soluble guanylate cyclase allosteric transition.

BIOCHEMISTRY; Año: 2008 vol. 47 p. 9416 - 9427

MARCELO A. MARTI; LUCIANA CAPECE; DAMIAN E. BIKIEL; BRUNO FALCONE; DARIO A. ESTRIN

Oxygen Affinity Controlled by Dynamical Distal Conformations: The Soybean Leghemoglobin and the Paramecium caudatum Hemoglobin Cases

PROTEINS: STRUCTURE, FUNCTION AND GENETICS; Año: 2007 vol. 68 p. 480 - 487

LUCIANA CAPECE; MARCELO A. MARTI; ALEJANDRO CRESPO; FABIO DOCTOROVICH; DARIO A. ESTRIN

Heme protein oxygen affinity regulation exerted by proximal effects.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Año: 2006 vol. 128 p. 12455 - 12461

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; Año: 2006 vol. 100 p. 761 - 770

DAMIAN E. BIKIEL; LEONARDO BOECHI; LUCIANA CAPECE; ALEJANDRO CRESPO; PABLO M. DE BIASE; SANTIAGO DI LELLA; MARIANO C. GONZALEZ LEBRERO; MARCELO A. MARTI; ALEJANDRO D. NADRA; LAURA L. PERISSINOTTI; DAMIÁN A. SCHERLIS; DARIO A. ESTRIN

Modeling heme proteins using atomistic simulations

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2006 vol. 8 p. 5611 - 5628

MARCELO A. MARTI; LUCIANA CAPECE; ALEJANDRO CRESPO; FABIO DOCTOROVICH; DARIO 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; Año: 2005 vol. 127 p. 7721 - 7728