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Lista de obras de Marcelo A. Marti

1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov.

artículo científico publicado en 2011

A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion.

artículo científico publicado en 2008

A protective protein matrix improves the discrimination of nitroxyl from nitric oxide by MnIII protoporphyrinate IX in aerobic media.

artículo científico publicado en 2011

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

artículo científico publicado en 2016

A surface effect allows HNO/NO discrimination by a cobalt porphyrin bound to gold

artículo científico publicado en 2010

A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis.

artículo científico publicado en 2015

Allelic differences in a vacuolar invertase affect Arabidopsis growth at early plant development.

artículo científico publicado en 2016

An integrated computational analysis of the structure, dynamics, and ligand binding interactions of the human galectin network

artículo científico publicado en 2011

Aromatic-aromatic interactions in proteins: beyond the dimer

scientific article published on 27 June 2011

Binding of the substrate UDP-glucuronic acid induces conformational changes in the xanthan gum glucuronosyltransferase

artículo científico publicado en 2016

Biological activity and ligand binding mode to the progesterone receptor of A-homo analogues of progesterone

artículo científico publicado en 2011

Bond or cage effect: how nitrophorins transport and release nitric oxide

artículo científico publicado en 2008

CDK2 and PKA mediated-sequential phosphorylation is critical for p19INK4d function in the DNA damage response

artículo científico publicado en 2012

CG2AA: backmapping protein coarse-grained structures.

artículo científico publicado en 2015

Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.

artículo científico publicado en 2009

Characterization of the galectin-1 carbohydrate recognition domain in terms of solvent occupancy

artículo científico publicado en 2007

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

artículo científico publicado en 2016

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

artículo científico publicado en 2011

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

artículo científico publicado en 2012

Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations

artículo científico publicado en 2020

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions

scientific article published on 13 June 2018

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

artículo científico publicado en 2019

Dioxygen affinity in heme proteins investigated by computer simulation

scientific article published on 26 January 2006

Discrimination of nitroxyl and nitric oxide by water-soluble Mn(III) porphyrins

artículo científico publicado en 2005

Discussing endogenous NO(•)/HNO interconversion aided by phenolic drugs and vitamins.

artículo científico

Draft genome sequence of Bizionia argentinensis, isolated from Antarctic surface water.

artículo científico publicado en 2011

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

artículo científico publicado en 2008

Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis.

artículo científico publicado en 2007

Efficient Calculation of Enzyme Reaction Free Energy Profiles Using a Hybrid Differential Relaxation Algorithm: Application to Mycobacterial Zinc Hydrolases.

artículo científico

Electron Transfer of Proteins at Membrane Models

Electron transfer dynamics of Rhodothermus marinus caa3 cytochrome c domains on biomimetic films

article

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

artículo científico publicado en 2014

Evidence for a ferryl intermediate in a heme-based dioxygenase.

artículo científico publicado en 2009

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family

artículo científico publicado en 2016

Exploring the molecular basis of heme coordination in human neuroglobin

artículo científico publicado en 2008

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

artículo científico publicado en 2010

Fast nitroxyl trapping by ferric porphyrins.

artículo científico publicado en 2003

H2S and NO cooperatively regulate vascular tone by activating a neuroendocrine HNO-TRPA1-CGRP signalling pathway

artículo científico publicado en 2014

HNO Is Produced by the Reaction of NO with Thiols

artículo científico publicado en 2017

Heme protein oxygen affinity regulation exerted by proximal effects

artículo científico publicado en 2006

Hemisuccinate of 21-hydroxy-6,19-epoxyprogesterone: a tissue-specific modulator of the glucocorticoid receptor

artículo científico publicado en 2008

High pressure reveals structural determinants for globin hexacoordination: Neuroglobin and myoglobin cases

artículo científico publicado en 2009

Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7

artículo científico publicado en 2013

Improving Efficiency in SMD Simulations Through a Hybrid Differential Relaxation Algorithm

artículo científico publicado en 2014

Inhibitory effect of quercetin on matrix metalloproteinase 9 activity molecular mechanism and structure-activity relationship of the flavonoid-enzyme interaction.

artículo científico publicado en 2010

Insights on glucocorticoid receptor activity modulation through the binding of rigid steroids

artículo científico publicado en 2010

Kinase Activation by Small Conformational Changes

artículo científico publicado en 2019

LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening.

artículo científico

Ligand Migration in Methanosarcina acetivorans Protoglobin: Effects of Ligand Binding and Dimeric Assembly

artículo científico publicado en 2011

Ligand Migration in the Apolar Tunnel of Cerebratulus lacteus Mini-Hemoglobin

artículo científico publicado en 2011

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

artículo científico publicado en 2015

Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N

artículo científico publicado en 2006

Linking the structure and thermal stability of beta-galactoside-binding protein galectin-1 to ligand binding and dimerization equilibria

artículo científico publicado en 2010

Mechanism of Product Release in NO Detoxification from Mycobacterium tuberculosis Truncated Hemoglobin N

artículo científico publicado en 2008

Mechanism of the Reaction of Human Manganese Superoxide Dismutase with Peroxynitrite: Nitration of Critical Tyrosine 34.

artículo científico publicado en 2016

Mechanistic insight into the enzymatic reduction of truncated hemoglobin N of Mycobacterium tuberculosis: role of the CD loop and pre-A motif in electron cycling

artículo científico publicado en 2014

Modulation of the NO trans effect in heme proteins: implications for the activation of soluble guanylate cyclase.

artículo científico publicado en 2003

Molecular Basis for the Electric Field Modulation of CytochromecStructure and Function

artículo científico publicado en 2009

Molecular Basis for the Substrate Stereoselectivity in Tryptophan Dioxygenase ⬇️

artículo científico publicado el 23 de noviembre de 2011

Molecular Dynamics Simulations Provide Atomistic Insight into Hydrogen Exchange Mass Spectrometry Experiments

artículo científico publicado en 2012

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

artículo científico publicado en 2017

Molecular basis for the pH dependent structural transition of Nitrophorin 4

scientific article published on 01 February 2009

Molecular basis of coupled protein and electron transfer dynamics of cytochrome c in biomimetic complexes

artículo científico publicado en 2010

Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: computer simulation studies in model tyrosine-cysteine peptides in solution

artículo científico publicado en 2012

Molecular mechanism of myoglobin autoxidation: insights from computer simulations

scientific article published on 27 January 2015

Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase

artículo científico publicado en 2005

Nitric Oxide Is Reduced to HNO by Proton-Coupled Nucleophilic Attack by Ascorbate, Tyrosine, and Other Alcohols. A New Route to HNO in Biological Media?

artículo científico publicado en 2015

Nitric oxide interaction with cytochrome c' and its relevance to guanylate cyclase. Why does the iron histidine bond break?

artículo científico publicado en 2005

Nitric oxide reactivity with globins as investigated through computer simulation.

artículo científico publicado en 2008

Oxygen affinity controlled by dynamical distal conformations: the soybean leghemoglobin and the Paramecium caudatum hemoglobin cases

artículo científico publicado en 2007

Physiological concentrations of melatonin inhibit the nitridergic pathway in the Syrian hamster retina.

artículo científico publicado en 2002

Probing the chemotaxis periplasmic sensor domains from Geobacter sulfurreducens by combined resonance Raman and molecular dynamic approaches: NO and CO sensing

artículo científico publicado en 2010

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

artículo científico publicado en 2010

Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

artículo científico publicado en 2015

Proximal effects in the modulation of nitric oxide synthase reactivity: a QM-MM study

artículo científico publicado en 2005

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.

artículo científico publicado en 2013

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

artículo científico publicado en 2013

Rapid Whole-Cell Assay of Antitubercular Drugs Using Second-Generation Fluoromycobacteriophages

artículo científico publicado en 2016

Reactions of HNO with metal porphyrins: underscoring the biological relevance of HNO.

artículo científico publicado en 2014

Redox potential determines the reaction mechanism of HNO donors with Mn and Fe porphyrins: defining the better traps

scientific article published on 08 July 2014

Role of Heme Distortion on Oxygen Affinity in Heme Proteins: The Protoglobin Case

artículo científico publicado en 2010

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

artículo científico publicado en 2012

Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis.

artículo científico publicado en 2009

Role of the Distal Hydrogen-Bonding Network in Regulating Oxygen Affinity in the Truncated Hemoglobin III from Campylobacter jejuni ⬇️

artículo científico publicado el 25 de abril de 2011

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

artículo científico

Solvent structure improves docking prediction in lectin-carbohydrate complexes.

artículo científico publicado en 2012

Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain

artículo científico publicado en 2016

Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications.

artículo científico publicado en 2016

Structural and molecular basis of the peroxynitrite-mediated nitration and inactivation of Trypanosoma cruzi iron-superoxide dismutases (Fe-SODs) A and B: disparate susceptibilities due to the repair of Tyr35 radical by Cys83 in Fe-SODB through [...]

artículo científico publicado en 2014

Structural basis for ligand recognition in a mushroom lectin: solvent structure as specificity predictor

scientific article published on 23 February 2011

Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O

artículo científico publicado en 2008

Structural model for p75(NTR)-TrkA intracellular domain interaction: a combined FRET and bioinformatics study.

artículo científico publicado en 2011

Structure and function of crocodilian hemoglobins and allosteric regulation by chloride, ATP, and CO2

artículo científico publicado en 2020

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

artículo científico publicado en 2010

The Catalytic Mechanism of Peptidylglycine α-Hydroxylating Monooxygenase Investigated by Computer Simulation

scientific article published on 01 October 2006

The NtrY/X two-component system of Brucella spp. acts as a redox sensor and regulates the expression of nitrogen respiration enzymes.

artículo científico publicado en 2012

The Underlying Mechanism of HNO Production by the Myoglobin-Mediated Oxidation of Hydroxylamine

scientific article published on 21 May 2020

The allosteric modulation of thyroxine-binding globulin affinity is entropy driven

artículo científico publicado en 2013

The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies

artículo científico publicado en 2010

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

artículo científico publicado en 2009

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

artículo científico publicado en 2012

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

artículo científico publicado en 2010

Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism

scientific article published on 01 March 2005

Thermal Fluctuations Determine the Electron-Transfer Rates of Cytochrome c in Electrostatic and Covalent Complexes

scientific article published on 01 April 2010

Thyroid hormone interactions with DMPC bilayers. A molecular dynamics study

artículo científico publicado en 2009

Time-resolved electrochemical quantification of azanone (HNO) at low nanomolar level.

artículo científico publicado en 2013

Trapping and characterization of a reaction intermediate in carbapenem hydrolysis by B. cereus metallo-beta-lactamase

artículo científico publicado en 2008

TuberQ: a Mycobacterium tuberculosis protein druggability database

artículo científico publicado en 2014

Two distinct heme distal site states define Cerebratulus lacteus mini-hemoglobin oxygen affinity

artículo científico publicado en 2006

Underlying thermodynamics of pH-dependent allostery.

artículo científico publicado en 2014

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

artículo científico publicado en 2010

Using crystallographic water properties for the analysis and prediction of lectin-carbohydrate complex structures

artículo científico publicado en 2014

WATCLUST: a tool for improving the design of drugs based on protein-water interactions

artículo científico publicado en 2015

Whole genome sequencing reveals a de novo SHANK3 mutation in familial autism spectrum disorder.

artículo científico publicado en 2015

p38γ activation triggers dynamical changes in allosteric docking sites

artículo científico publicado en 2011

pH-Dependent conformational changes in proteins and their effect on experimental pK(a)s: the case of Nitrophorin 4

artículo científico publicado en 2012

pH-dependent mechanism of nitric oxide release in nitrophorins 2 and 4

artículo científico publicado en 2009

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