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

Proteins, structure, function, and bioinformatics, 2010-11, Vol.78 (14), p.2961-2972

2010

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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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Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations

Chemphyschem, 2019-10, Vol.20 (19), p.2451-2460

2019

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Kinetic and dynamical properties of truncated hemoglobins of the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125

Protein science, 2024-07, Vol.33 (7), p.e5064-n/a

2024

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Gating in plant plasma membrane aquaporins: the involvement of leucine in the formation of a pore constriction in the closed state

The FEBS journal, 2019-09, Vol.286 (17), p.3473-3487

2019

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TD‐DFT modeling of electronic spectra of biliverdins in different environments

International journal of quantum chemistry, 2022-11, Vol.122 (22), p.n/a

2022

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

The FEBS journal, 2016, Vol.283 (2), p.305-322

2016

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

Proteins, structure, function, and bioinformatics, 2013-05, Vol.81 (5), p.863-873

2013

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The Caenorhabditis elegans DAF-12 nuclear receptor: Structure, dynamics, and interaction with ligands

Proteins, structure, function, and bioinformatics, 2012-07, Vol.80 (7), p.1798-1809

2012

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

Proteins, structure, function, and bioinformatics, 2006-08, Vol.64 (2), p.457-464

2006

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

Journal of pineal research, 2002-08, Vol.33 (1), p.31-36

2002

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Exploring the molecular basis of heme coordination in human neuroglobin

Proteins, structure, function, and bioinformatics, 2008-05, Vol.71 (2), p.695-705

2008

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Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O

Proteins, structure, function, and bioinformatics, 2008-11, Vol.73 (2), p.372-379

2008

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

The FEBS journal, 2009-04, Vol.276 (8), p.2266-2277

2009

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Structure and dynamics of Antarctic fish neuroglobin assessed by computer simulations

IUBMB life, 2011-03, Vol.63 (3), p.206-213

2011

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

IUBMB life, 2011-03, Vol.63 (3), p.175-182

2011

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

Proteins, structure, function, and bioinformatics, 2007-08, Vol.68 (2), p.480-487

2007

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Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methods

International journal of quantum chemistry, 2002, Vol.87 (3), p.158-166

2002

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Hemisuccinate of 21-Hydroxy-6,19-Epoxyprogesterone: A Tissue-Specific Modulator of the Glucocorticoid Receptor

ChemMedChem, 2008-12, Vol.3 (12), p.1869-1877

2008

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Electronic Perturbation in a Molecular Nanowire of [IrCl5(NO)]− Units

Chemistry : a European journal, 2007-01, Vol.13 (30), p.8428-8436

2007

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

Proteins, structure, function, and bioinformatics, 2006-02, Vol.62 (3), p.641-648

2006

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Nitrosation of melatonin by nitric oxide: a computational study

Journal of pineal research, 2001-09, Vol.31 (2), p.97-101

2001

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NMR and molecular dynamics studies of the interaction of melatonin with calmodulin

Protein science, 2004-11, Vol.13 (11), p.2925-2938

2004

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Cover Feature: Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations (ChemPhysChem 19/2019)

Chemphyschem, 2019-10, Vol.20 (19), p.2401-2401

2019

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

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

Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations

Kinetic and dynamical properties of truncated hemoglobins of the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125

Gating in plant plasma membrane aquaporins: the involvement of leucine in the formation of a pore constriction in the closed state

TD‐DFT modeling of electronic spectra of biliverdins in different environments

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

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

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

The Caenorhabditis elegans DAF-12 nuclear receptor: Structure, dynamics, and interaction with ligands

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

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

Exploring the molecular basis of heme coordination in human neuroglobin

Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O

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

Structure and dynamics of Antarctic fish neuroglobin assessed by computer simulations

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

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

Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methods

Hemisuccinate of 21-Hydroxy-6,19-Epoxyprogesterone: A Tissue-Specific Modulator of the Glucocorticoid Receptor

Electronic Perturbation in a Molecular Nanowire of [IrCl5(NO)]− Units

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

Nitrosation of melatonin by nitric oxide: a computational study

NMR and molecular dynamics studies of the interaction of melatonin with calmodulin

Cover Feature: Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations (ChemPhysChem 19/2019)

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