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An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphatase

Scientific reports, 2020-10, Vol.10 (1), p.18530-18530, Article 18530

2020

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Atomistic ensemble of active SHP2 phosphatase

Communications biology, 2023-12, Vol.6 (1), p.1289-1289, Article 1289

2023

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Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet

Computational and structural biotechnology journal, 2024-12, Vol.23, p.1169-1180

2024

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Conformational dynamics promotes disordered regions from function-dispensable to essential in evolved site-specific DNA recombinases

Computational and structural biotechnology journal, 2022-01, Vol.20, p.989-1001

2022

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Molecular Dynamics Simulation of Deoxy and Carboxy Murine Neuroglobin in Water

Biophysical journal, 2007-07, Vol.93 (2), p.434-441

2007

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Extended Molecular Dynamics Simulation of the Carbon Monoxide Migration in Sperm Whale Myoglobin

Biophysical journal, 2004-06, Vol.86 (6), p.3855-3862

2004

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The Kinetics of Ligand Migration in Crystallized Myoglobin as Revealed by Molecular Dynamics Simulations

Biophysical journal, 2008-06, Vol.94 (11), p.4277-4281

2008

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Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

Biophysical journal, 2005-07, Vol.89 (1), p.465-474

2005

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The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations

Proteins, structure, function, and bioinformatics, 2011-03, Vol.79 (3), p.867-879

2011

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Structure of the lipodepsipeptide syringomycin E in phospholipids and sodium dodecylsulphate micelle studied by circular dichroism, NMR spectroscopy and molecular dynamics

Biochimica et biophysica acta, 2011-09, Vol.1808 (9), p.2102-2110

2011

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Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket

Biophysical journal, 2007-05, Vol.92 (10), p.3442-3447

2007

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Experiment-guided molecular simulations define a heterogeneous structural ensemble for the tandem SH2 domains

Chemical science (Cambridge), 2023-05, Vol.14 (21), p.5743-5755

2023

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Probing the Role of Murine Neuroglobin CDloop–D-Helix Unit in CO Ligand Binding and Structural Dynamics

ACS chemical biology, 2022-08, Vol.17 (8), p.2099-2108

2022

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Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating

Scientific reports, 2019-03, Vol.9 (1), p.5326-9, Article 5326

2019

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Clinical and functional characterization of two novel ZBTB20 mutations causing Primrose syndrome

Human mutation, 2018-07, Vol.39 (7), p.959-964

2018

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Mutations in ZBTB20 cause Primrose syndrome

Nature genetics, 2014-08, Vol.46 (8), p.815-817

2014

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Pathogenic PTPN11 variants involving the poly‐glutamine Gln255‐Gln256‐Gln257 stretch highlight the relevance of helix B in SHP2's functional regulation

Human mutation, 2020-06, Vol.41 (6), p.1171-1182

2020

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Pathogenic PTPN11 variants involving the poly-glutamine Gln 255 -Gln 256 -Gln 257 stretch highlight the relevance of helix B in SHP2's functional regulation

Human mutation, 2020-06, Vol.41 (6), p.1171-1182

2020

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Molecular Dynamics Simulation of the Neuroglobin Crystal: Comparison with the Simulation in Solution

Biophysical journal, 2008-11, Vol.95 (9), p.4157-4162

2008

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Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase

Proteins, structure, function, and bioinformatics, 2010-02, Vol.78 (2), p.259-270

2010

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Structural, thermodynamic, and kinetic properties of Gramicidin analogue GS6 studied by molecular dynamics simulations and statistical mechanics

Biopolymers, 2009-12, Vol.91 (12), p.1154-1160

2009

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An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphatase

Atomistic ensemble of active SHP2 phosphatase

Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet

Conformational dynamics promotes disordered regions from function-dispensable to essential in evolved site-specific DNA recombinases

Molecular Dynamics Simulation of Deoxy and Carboxy Murine Neuroglobin in Water

Extended Molecular Dynamics Simulation of the Carbon Monoxide Migration in Sperm Whale Myoglobin

The Kinetics of Ligand Migration in Crystallized Myoglobin as Revealed by Molecular Dynamics Simulations

Molecular Dynamics Simulation of Sperm Whale Myoglobin: Effects of Mutations and Trapped CO on the Structure and Dynamics of Cavities

The effects of the L29F mutation on the ligand migration kinetics in crystallized myoglobin as revealed by molecular dynamics simulations

Structure of the lipodepsipeptide syringomycin E in phospholipids and sodium dodecylsulphate micelle studied by circular dichroism, NMR spectroscopy and molecular dynamics

Theoretical Characterization of Carbon Monoxide Vibrational Spectrum in Sperm Whale Myoglobin Distal Pocket

Experiment-guided molecular simulations define a heterogeneous structural ensemble for the tandem SH2 domains

Probing the Role of Murine Neuroglobin CDloop–D-Helix Unit in CO Ligand Binding and Structural Dynamics

Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating

Mutations Impairing GSK3-Mediated MAF Phosphorylation Cause Cataract, Deafness, Intellectual Disability, Seizures, and a Down Syndrome-like Facies

Clinical and functional characterization of two novel ZBTB20 mutations causing Primrose syndrome

Mutations in ZBTB20 cause Primrose syndrome

Structural, Functional, and Clinical Characterization of a Novel PTPN11 Mutation Cluster Underlying Noonan Syndrome

Pathogenic PTPN11 variants involving the poly‐glutamine Gln255‐Gln256‐Gln257 stretch highlight the relevance of helix B in SHP2's functional regulation

Pathogenic PTPN11 variants involving the poly-glutamine Gln 255 -Gln 256 -Gln 257 stretch highlight the relevance of helix B in SHP2's functional regulation

Molecular Dynamics Simulation of the Neuroglobin Crystal: Comparison with the Simulation in Solution

Structural, Functional, and Clinical Characterization of a Novel PTPN11 Mutation Cluster Underlying Noonan Syndrome: HUMAN MUTATION

Cover Image, Volume 38, Issue 4

Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase

Structural, thermodynamic, and kinetic properties of Gramicidin analogue GS6 studied by molecular dynamics simulations and statistical mechanics

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