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 | 101 | 2006 |
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 | 84 | 2006 |
Sulfide binding properties of truncated hemoglobins FP Nicoletti, A Comandini, A Bonamore, L Boechi, FM Boubeta, A Feis, ... Biochemistry 49 (10), 2269-2278, 2010 | 75 | 2010 |
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 | 60 | 2011 |
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 | 57 | 2010 |
Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O L Boechi, MA Martí, M Milani, M Bolognesi, FJ Luque, DA Estrin Proteins: Structure, Function, and Bioinformatics 73 (2), 372-379, 2008 | 57 | 2008 |
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 | 54 | 2014 |
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 | 43 | 2013 |
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 | 43 | 2010 |
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 | 42 | 2011 |
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 | 42 | 2011 |
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 | 40 | 2016 |
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 | 36 | 2015 |
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 | 34 | 2011 |
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 | 34 | 2009 |
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 | 31 | 2011 |
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 | 30 | 2013 |
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 Martí, L Boechi, DA Estrin, ... PLoS One 7 (11), e49291, 2012 | 30 | 2012 |
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 | 27 | 2014 |
Structural flexibility of the heme cavity in the cold‐adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125 D Giordano, A Pesce, L Boechi, JP Bustamante, E Caldelli, BD Howes, ... The FEBS Journal 282 (15), 2948-2965, 2015 | 26 | 2015 |