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Leonardo Boechi
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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
1052006
Modeling heme proteins using atomistic simulations
DE Bikiel, L Boechi, L Capece, A Crespo, PM De Biase, S Di Lella, ...
Physical Chemistry Chemical Physics 8 (48), 5611-5628, 2006
852006
Sulfide binding properties of truncated hemoglobins
FP Nicoletti, A Comandini, A Bonamore, L Boechi, FM Boubeta, A Feis, ...
Biochemistry 49 (10), 2269-2278, 2010
762010
Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration
DM Moreno, MA Martí, PM De Biase, DA Estrin, V Demicheli, R Radi, ...
Archives of biochemistry and biophysics 507 (2), 304-309, 2011
622011
Structure, mechanism, and dynamics of UDP-galactopyranose mutase
JJ Tanner, L Boechi, JA McCammon, P Sobrado
Archives of biochemistry and biophysics 544, 128-141, 2014
612014
Role of heme distortion on oxygen affinity in heme proteins: the protoglobin case
DE Bikiel, F Forti, L Boechi, M Nardini, FJ Luque, MA Marti, DA Estrin
The Journal of Physical Chemistry B 114 (25), 8536-8543, 2010
602010
Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O
L Boechi, MA Marti, M Milani, M Bolognesi, FJ Luque, DA Estrin
Proteins: Structure, Function, and Bioinformatics 73 (2), 372-379, 2008
582008
Small ligand–globin interactions: reviewing lessons derived from computer simulation
L Capece, L Boechi, LL Perissinotti, P Arroyo-Mañez, DE Bikiel, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1834 (9), 1722-1738, 2013
462013
Protein dynamics and ligand migration interplay as studied by computer simulation
P Arroyo-Mañez, DE Bikiel, L Boechi, L Capece, S Di Lella, DA Estrin, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1814 (8), 1054-1064, 2011
442011
Evolutionary and functional relationships in the truncated hemoglobin family
JP Bustamante, L Radusky, L Boechi, DA Estrin, A Ten Have, MA Martí
PLoS computational biology 12 (1), e1004701, 2016
432016
Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case
L Boechi, PA Mañez, FJ Luque, MA Marti, DA Estrin
Proteins: Structure, Function, and Bioinformatics 78 (4), 962-970, 2010
432010
Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins
F Forti, L Boechi, DA Estrin, MA Marti
Journal of computational chemistry 32 (10), 2219-2231, 2011
422011
Reactivity of inorganic sulfide species toward a heme protein model
SA Bieza, F Boubeta, A Feis, G Smulevich, DA Estrin, L Boechi, SE Bari
Inorganic Chemistry 54 (2), 527-533, 2015
362015
The hemoglobins of the sub‐Antarctic fish Cottoperca gobio, a phyletically basal species – oxygen‐binding equilibria, kinetics and molecular dynamics
D Giordano, L Boechi, A Vergara, MA Martí, U Samuni, D Dantsker, ...
The FEBS journal 276 (8), 2266-2277, 2009
352009
Fluoride as a Probe for H-Bonding Interactions in the Active Site of Heme Proteins: The Case of Thermobifida fusca Hemoglobin
FP Nicoletti, E Droghetti, L Boechi, A Bonamore, N Sciamanna, DA Estrin, ...
Journal of the American Chemical Society 133 (51), 20970-20980, 2011
332011
Ligand migration in Methanosarcina acetivorans protoglobin: effects of ligand binding and dimeric assembly
F Forti, L Boechi, D Bikiel, MA Marti, M Nardini, M Bolognesi, C Viappiani, ...
The Journal of Physical Chemistry B 115 (46), 13771-13780, 2011
322011
Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7 [S]
L Boechi, M Arrar, MA Martí, JS Olson, AE Roitberg, DA Estrin
Journal of Biological Chemistry 288 (9), 6754-6762, 2013
312013
Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N
A Oliveira, S Singh, A Bidon-Chanal, F Forti, MA Marti, L Boechi, DA Estrin, ...
PLoS One 7 (11), e49291, 2012
312012
Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins
JP Bustamante, S Abbruzzetti, A Marcelli, D Gauto, L Boechi, A Bonamore, ...
The Journal of Physical Chemistry B 118 (5), 1234-1245, 2014
282014
Hemeproteins as targets for sulfide species
FM Boubeta, SA Bieza, M Bringas, JC Palermo, L Boechi, DA Estrin, ...
Antioxidants & Redox Signaling 32 (4), 247-257, 2020
272020
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