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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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Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics

Journal of chemical theory and computation, 2015-08, Vol.11 (8), p.3906-3918

2015

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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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Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

Structural dynamics (Melville, N.Y.), 2018-09, Vol.5 (5), p.054101-054101

2018

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The loops of the N-SH2 binding cleft do not serve as allosteric switch in SHP2 activation

Proceedings of the National Academy of Sciences - PNAS, 2021-04, Vol.118 (17), p.1-10

2021

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Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains

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

2023

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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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Structural Determinants of Phosphopeptide Binding to the N‑Terminal Src Homology 2 Domain of the SHP2 Phosphatase

Journal of chemical information and modeling, 2020-06, Vol.60 (6), p.3157-3171

2020

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Study on the Structure of Host−Guest Supramolecular Polymers

Macromolecules, 2007-08, Vol.40 (16), p.5899-5906

2007

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Sulfated Glycosaminoglycans Exploit the Conformational Plasticity of Bone Morphogenetic Protein‑2 (BMP-2) and Alter the Interaction Profile with Its Receptor

Biomacromolecules, 2014-08, Vol.15 (8), p.3083-3092

2014

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Kinetics of Carbon Monoxide Migration and Binding in Solvated Neuroglobin As Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations

The journal of physical chemistry. B, 2011-03, Vol.115 (10), p.2436-2446

2011

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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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Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies

Chemical physics, 2012-01, Vol.392 (1), p.205-214

2012

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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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Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations

Journal of the American Chemical Society, 2010-10, Vol.132 (42), p.14901-14909

2010

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Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2011-10, Vol.115 (41), p.11872-11878

2011

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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

Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics

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

Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

The loops of the N-SH2 binding cleft do not serve as allosteric switch in SHP2 activation

Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains

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

Structural Determinants of Phosphopeptide Binding to the N‑Terminal Src Homology 2 Domain of the SHP2 Phosphatase

Study on the Structure of Host−Guest Supramolecular Polymers

Sulfated Glycosaminoglycans Exploit the Conformational Plasticity of Bone Morphogenetic Protein‑2 (BMP-2) and Alter the Interaction Profile with Its Receptor

Kinetics of Carbon Monoxide Migration and Binding in Solvated Neuroglobin As Revealed by Molecular Dynamics Simulations and Quantum Mechanical Calculations

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

Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies

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

Dynamic Investigation of Protein Metal Active Sites: Interplay of XANES and Molecular Dynamics Simulations

Analysis of Infrared Spectra of β-Hairpin Peptides As Derived from Molecular Dynamics Simulations

Cover Image, Volume 38, Issue 4

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