L. Boechi

发表

Modeling heme proteins using atomistic simulations.

A. Nadra, A. Crespo, D. Scherlis, 2006, Physical chemistry chemical physics : PCCP.

Lessons learned about steered molecular dynamics simulations and free energy calculations

M. Sued, D. Estrin, L. Boechi, 2019, Chemical biology & drug design.

Fluoride as a probe for H-bonding interactions in the active site of heme proteins: the case of Thermobifida fusca hemoglobin.

D. Estrin, A. Boffi, A. Bonamore, 2011, Journal of the American Chemical Society.

Heme pocket structural properties of a bacterial truncated hemoglobin from Thermobifida fusca.

D. Estrin, A. Boffi, A. Bonamore, 2010, Biochemistry.

Molecular basis of thermal stability in truncated (2/2) hemoglobins.

Juan P. Bustamante, A. Nadra, D. Estrin, 2014, Biochimica et biophysica acta.

Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125.

B. Patrizi, D. Estrin, C. Viappiani, 2018, The journal of physical chemistry. B.

Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata.

D. Estrin, L. Boechi, S. Bari, 2016, The journal of physical chemistry. B.

Sulfide binding properties of truncated hemoglobins.

A. Boffi, A. Bonamore, G. Smulevich, 2010, Biochemistry.

Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N

F. J. Luque, M. Martí, D. Estrin, 2012, PloS one.

HEMEPROTEINS AS TARGETS FOR SULFIDE SPECIES.

D. Estrin, L. Boechi, S. Bari, 2020, Antioxidants & redox signaling.

Mechanism of Sulfide Binding by Ferric Hemeproteins.

D. Estrin, L. Boechi, S. Bari, 2018, Inorganic chemistry.

Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration.

M. Martí, D. Estrin, R. Radi, 2011, Archives of biochemistry and biophysics.

Protein dynamics and ligand migration interplay as studied by computer simulation.

Leonardo Boechi, Luciana Capece, A. Nadra, 2011, Biochimica et biophysica acta.

Reactivity of inorganic sulfide species toward a heme protein model.

D. Estrin, G. Smulevich, L. Boechi, 2015, Inorganic chemistry.

Structural flexibility of the heme cavity in the cold‐adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125

Juan P. Bustamante, Leonardo Boechi, Alessandra Pesce, 2015, The FEBS journal.

Ligand migration in Methanosarcina acetivorans protoglobin: effects of ligand binding and dimeric assembly.

F. J. Luque, F Javier Luque, Flavio Forti, 2011, The journal of physical chemistry. B.

The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin.

Dardo N. Ferreiro, M. Martí, D. Estrin, 2013, Journal of inorganic biochemistry.

The hemoglobins of the sub‐Antarctic fish Cottoperca gobio, a phyletically basal species – oxygen‐binding equilibria, kinetics and molecular dynamics

A. Vergara, L. Mazzarella, J. Friedman, 2009, The FEBS journal.

Structure and dynamics of Antarctic fish neuroglobin assessed by computer simulations

A. Nadra, D. Estrin, C. Verde, 2011, IUBMB life.

Bridging Theory and Experiment to Address Structural Properties of Truncated Haemoglobins: Insights from Thermobifida fusca HbO.

A. Boffi, B. Howes, G. Smulevich, 2015, Advances in microbial physiology.

The peculiar heme pocket of the 2/2 hemoglobin of cold-adapted Pseudoalteromonas haloplanktis TAC125

M. Martí, D. Estrin, M. Coletta, 2011, JBIC Journal of Biological Inorganic Chemistry.

The N‐terminal pre‐A region of Mycobacterium tuberculosis 2/2HbN promotes NO‐dioxygenase activity

F. J. Luque, Juan P. Bustamante, M. Nardini, 2016, The FEBS journal.

Dioxygen affinity in heme proteins investigated by computer simulation.

Leonardo Boechi, Marcelo A Marti, Luciana Capece, 2006, Journal of inorganic biochemistry.

Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from Campylobacter jejuni.

F. J. Luque, M. Martí, D. Estrin, 2011, Biochemistry.

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

Dario A. Estrin, Marcelo A. Marti, Arjen ten Have, 2016, PLoS Comput. Biol..

Substrate‐dependent dynamics of UDP‐galactopyranose mutase: Implications for drug design

Leonardo Boechi, Pablo Sobrado, J. Mccammon, 2013, Protein science : a publication of the Protein Society.

Structure, mechanism, and dynamics of UDP-galactopyranose mutase.

J. Andrew McCammon, J. Tanner, P. Sobrado, 2014, Archives of biochemistry and biophysics.

Role of heme distortion on oxygen affinity in heme proteins: the protoglobin case.

F. J. Luque, M. Nardini, M. Martí, 2010, The journal of physical chemistry. B.

On the accurate estimation of free energies using the jarzynski equality

Mariela Sued, Leonardo Boechi, Daniela Rodriguez, 2019, J. Comput. Chem..

Small ligand-globin interactions: reviewing lessons derived from computer simulation.

Leonardo Boechi, Marcelo A Marti, Giulietta Smulevich, 2013, Biochimica et biophysica acta.

Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins

Dario A. Estrin, Marcelo A. Marti, Flavio Forti, 2011, J. Comput. Chem..

Unraveling the molecular basis for ligand binding in truncated hemoglobins: The trHbO Bacillus subtilis case

M. Martí, D. Estrin, L. Boechi, 2010, Proteins.

Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules

Juan P. Bustamante, Leonardo Boechi, Marcelo A Marti, 2015, F1000Research.

Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7*

A. Roitberg, M. Martí, D. Estrin, 2013, The Journal of Biological Chemistry.

Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O

F Javier Luque, Leonardo Boechi, Marcelo A Martí, 2008, Proteins.

Ligand uptake in Mycobacterium tuberculosis truncated hemoglobins is controlled by both internal tunnels and active site water molecules.

Juan P. Bustamante, M. Martí, D. Estrin, 2015, F1000Research.

Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins.

Juan P. Bustamante, Leonardo Boechi, Diego F. Gauto, 2014, The journal of physical chemistry. B.

A quantitative model for oxygen uptake and release in a family of hemeproteins

Mariela Sued, Dario A. Estrin, Marcelo A. Marti, 2016, Bioinform..

Clinical characteristics of vulnerable populations hospitalized and diagnosed with COVID-19 in Buenos Aires, Argentina

S. Kochen, F. Cavalli, P. Salgado, 2021, Scientific Reports.

Protonation of histidine 55 affects the oxygen access to heme in the alpha chain of the hemoglobin from the Antarctic fish Trematomus bernacchii

A. Vergara, L. Mazzarella, D. Estrin, 2011, IUBMB life.

Uncovering differential equations from data with hidden variables

D. Picard, M. Jonckheere, L. Boechi, 2020, ArXiv.

Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7*

A. Roitberg, D. Estrin, J. Olson, 2013, The Journal of Biological Chemistry.

Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O

M. Bolognesi, D. Estrin, L. Boechi, 2008, Proteins.