Lista de obras - Giulia Morra - Dominio Público Uruguay

A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation.

artículo científico publicado en 2008

Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design

article

Allosteric Regulation Points Control the Conformational Dynamics of the Molecular Chaperone Hsp90.

artículo científico publicado en 2016

An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back

artículo científico publicado en 2016

Computational studies of G protein-coupled receptor complexes: Structure and dynamics.

artículo científico publicado en 2017

Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors

artículo científico publicado en 2010

Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations

artículo científico publicado en 2012

Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines

artículo científico publicado en 2016

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect

artículo científico publicado en 2014

Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90.

artículo científico publicado en 2010

HMGB1-carbenoxolone interactions: dynamics insights from combined nuclear magnetic resonance and molecular dynamics.

artículo científico publicado en 2011

Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions ⬇️

artículo científico publicado el 2 de marzo de 2012

Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody–Antigen Complexes

scientific article published on 02 January 2013

Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes ⬇️

artículo científico publicado el 24 de noviembre de 2010

Investigating the mechanism of peptide aggregation: insights from mixed monte carlo-molecular dynamics simulations.

artículo científico publicado en 2008

Mechanisms of Differential Allosteric Modulation in Homologous Proteins: Insights from the Analysis of Internal Dynamics and Energetics of PDZ Domains

article

Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin

artículo científico publicado en 2017

Methionine sulfoxides on prion protein Helix-3 switch on the alpha-fold destabilization required for conversion.

artículo científico publicado en 2009

Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer

artículo científico publicado en 2009

Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations ⬇️

artículo científico publicado el 27 de diciembre de 2012

Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: implications for integrin-mediated antiseptic function.

artículo científico publicado en 2013

Molecular dynamics simulations of proteins and peptides: from folding to drug design.

artículo científico publicado en 2008

Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping.

artículo científico publicado en 2010

Protein and lipid interactions driving molecular mechanisms of in meso crystallization

scientific article published on 14 February 2014

Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins

article

Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains.

artículo científico publicado en 2017

Role of ions on structure and stability of a synthetic gramicidin ion channel in solution. A molecular dynamics study

artículo científico publicado en 2005

Stability and fluctuations of amide hydrogen bonds in a bacterial cytochrome c: a molecular dynamics study.

artículo científico publicado en 2005

Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase

artículo científico publicado en 2015

Surface energetics and protein-protein interactions: analysis and mechanistic implications

artículo científico publicado en 2016

Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor.

artículo científico publicado en 2016

Unfolding of the cold shock protein studied with biased molecular dynamics ⬇️

artículo científico publicado el 15 de noviembre de 2003

Lista de obras de Giulia Morra

A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation.

Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design

Allosteric Regulation Points Control the Conformational Dynamics of the Molecular Chaperone Hsp90.

An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back

Computational studies of G protein-coupled receptor complexes: Structure and dynamics.

Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors

Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations

Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines

Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect

Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90.

HMGB1-carbenoxolone interactions: dynamics insights from combined nuclear magnetic resonance and molecular dynamics.

Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions ⬇️

Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody–Antigen Complexes

Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes ⬇️

Investigating the mechanism of peptide aggregation: insights from mixed monte carlo-molecular dynamics simulations.

Mechanisms of Differential Allosteric Modulation in Homologous Proteins: Insights from the Analysis of Internal Dynamics and Energetics of PDZ Domains

Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin

Methionine sulfoxides on prion protein Helix-3 switch on the alpha-fold destabilization required for conversion.

Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer

Molecular Mechanism of Allosteric Communication in Hsp70 Revealed by Molecular Dynamics Simulations ⬇️

Molecular dynamics and docking simulation of a natural variant of Activated Protein C with impaired protease activity: implications for integrin-mediated antiseptic function.

Molecular dynamics simulations of proteins and peptides: from folding to drug design.

Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping.

Protein and lipid interactions driving molecular mechanisms of in meso crystallization

Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins

Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains.

Role of ions on structure and stability of a synthetic gramicidin ion channel in solution. A molecular dynamics study

Stability and fluctuations of amide hydrogen bonds in a bacterial cytochrome c: a molecular dynamics study.

Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase

Surface energetics and protein-protein interactions: analysis and mechanistic implications

Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor.

Unfolding of the cold shock protein studied with biased molecular dynamics ⬇️