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On the accurate estimation of free energies using the jarzynski equality

Journal of computational chemistry, 2019-02, Vol.40 (4), p.688-696

2019

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Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

PLoS computational biology, 2016-01, Vol.12 (1), p.e1004701-e1004701

2016

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Lessons learned about steered molecular dynamics simulations and free energy calculations

Chemical biology & drug design, 2019-06, Vol.93 (6), p.1129-1138

2019

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Reactivity of Inorganic Sulfide Species toward a Heme Protein Model

Inorganic chemistry, 2015-01, Vol.54 (2), p.527-533

2015

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Role of PheE15 gate in ligand entry and nitric oxide detoxification function of mycobacterium tuberculosis truncated hemoglobin N

PloS one, 2012-11, Vol.7 (11), p.e49291

2012

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

Proteins, structure, function, and bioinformatics, 2010-03, Vol.78 (4), p.962-970

2010

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Población hospitalizada con diagnóstico de Covid-19 en los centros de salud públicos de la región sudeste del Gran Buenos Aires

Revista de la Facultad de Ciencias Médicas de Córdoba, 2021-03, Vol.78 (1), p.17-24

2021

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

F1000 research, 2015, Vol.4, p.22-22

2015

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Trypsinogen Activation Observed in Accelerated Molecular Dynamics Simulations

Biophysical journal, 2014-01, Vol.106 (2), p.251a-251a

2014

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

The journal of physical chemistry. B, 2016-09, Vol.120 (36), p.9642-9653

2016

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Hemeproteins as Targets for Sulfide Species

Antioxidants & redox signaling, 2020-02, Vol.32 (4), p.247-257

2020

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Clustering high dimensional meteorological scenarios: Results and performance index

International journal of approximate reasoning, 2021-12, Vol.139, p.1-11

2021

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Structure, mechanism, and dynamics of UDP-galactopyranose mutase

Archives of biochemistry and biophysics, 2014-02, Vol.544, p.128-141

2014

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Uncovering differential equations from data with hidden variables

Physical review. E, 2022-05, Vol.105 (5), Article 054209

2022

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

The journal of physical chemistry. B, 2018-12, Vol.122 (49), p.11649-11661

2018

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Mechanism of Sulfide Binding by Ferric Hemeproteins

Inorganic chemistry, 2018-07, Vol.57 (13), p.7591-7600

2018

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Access and Binding of H 2 S to Hemeproteins: The Case of HbI of Lucina pectinata

The journal of physical chemistry. B, 2016-09, Vol.120 (36), p.9642-9653

2016

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Membrane Protein Folding: Mechanistic and Kinetic Implications

Biophysical journal, 2012-01, Vol.102 (3), p.59a-59a

2012

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

The FEBS journal, 2015-08, Vol.282 (15), p.2948-2965

2015

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Sulfide Binding Properties of Truncated Hemoglobins

Biochemistry (Easton), 2010-03, Vol.49 (10), p.2269-2278

2010

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

Journal of computational chemistry, 2011-07, Vol.32 (10), p.2219-2231

2011

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Trypsinogen activation as observed in accelerated molecular dynamics simulations

Protein science, 2014-11, Vol.23 (11), p.1550-1558

2014

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

Biochimica et biophysica acta, 2013-09, Vol.1834 (9), p.1722-1738

2013

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Ligand Uptake Modulation by Internal Water Molecules and Hydrophobic Cavities in Hemoglobins

The journal of physical chemistry. B, 2014-02, Vol.118 (5), p.1234-1245

2014

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

Bioinformatics, 2016-06, Vol.32 (12), p.1805-1813

2016

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On the accurate estimation of free energies using the jarzynski equality

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

Lessons learned about steered molecular dynamics simulations and free energy calculations

Reactivity of Inorganic Sulfide Species toward a Heme Protein Model

Role of PheE15 gate in ligand entry and nitric oxide detoxification function of mycobacterium tuberculosis truncated hemoglobin N

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

Población hospitalizada con diagnóstico de Covid-19 en los centros de salud públicos de la región sudeste del Gran Buenos Aires

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

Trypsinogen Activation Observed in Accelerated Molecular Dynamics Simulations

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

Hemeproteins as Targets for Sulfide Species

Clustering high dimensional meteorological scenarios: Results and performance index

Structure, mechanism, and dynamics of UDP-galactopyranose mutase

Uncovering differential equations from data with hidden variables

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

Mechanism of Sulfide Binding by Ferric Hemeproteins

Access and Binding of H 2 S to Hemeproteins: The Case of HbI of Lucina pectinata

Membrane Protein Folding: Mechanistic and Kinetic Implications

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

Sulfide Binding Properties of Truncated Hemoglobins

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

Trypsinogen activation as observed in accelerated molecular dynamics simulations

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

Ligand Uptake Modulation by Internal Water Molecules and Hydrophobic Cavities in Hemoglobins

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

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