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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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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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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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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

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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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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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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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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Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case

The Journal of chemical physics, 2005-03, Vol.122 (12), p.124506-124506

2005

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SMEs as the Unknown Stakeholder: Entrepreneurship in the Political Arena

1, 2013

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PGC1-α-driven mitochondrial biogenesis contributes to a cancer stem cell phenotype in melanoma

Biochimica et biophysica acta. Molecular basis of disease, 2024-01, Vol.1870 (1), p.166897-166897, Article 166897

2024

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SISMIKO: emergency network deployment and data sharing for the 2016 central Italy seismic sequence

Annals of geophysics, 2016-01, Vol.59

2016

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Atomistic ensemble of active SHP2 phosphatase

Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics

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

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

Clinical and functional characterization of two novel ZBTB20 mutations causing 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

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

Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case

SMEs as the Unknown Stakeholder: Entrepreneurship in the Political Arena

PGC1-α-driven mitochondrial biogenesis contributes to a cancer stem cell phenotype in melanoma

SISMIKO: emergency network deployment and data sharing for the 2016 central Italy seismic sequence

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