Morra, Giulia

Publications

Sort by

Co-Author Network

selected publications

Microtubule association induces a Mg-free apo-like ADP pre-release conformation in kinesin-1 that is unaffected by its autoinhibitory tail. Nature communications. 2025 Academic Article GET IT
A small molecule enhances arrestin-3 binding to the β₂-adrenergic receptor. Communications chemistry. 2025 Academic Article GET IT
Insights into Ligand-Specific Activation Dynamics of Dopamine D₂ Receptor Explored by MD Simulations. Journal of chemical information and modeling. 2025 Academic Article GET IT
A small molecule enhances arrestin-3 binding to the β₂-adrenergic receptor. 2024 GET IT
Inhibition of the SARS-CoV-2 Non-structural Protein 5 (NSP5) Protease by Nitrosocarbonyl-Bases Small Molecules. ACS omega. 2024 Academic Article GET IT
Exploring Mutation-Driven Changes in the ATP-ADP Conformational Cycle of Human Hsp70 by All-Atom MD Adaptive Sampling. The journal of physical chemistry. B. 2024 Academic Article GET IT
Inhibition of the RNA-Dependent RNA-Polymerase from SARS-CoV-2 by 6-Chloropurine Isoxazoline-Carbocyclic Monophosphate Nucleotides. ACS omega. 2023 Academic Article GET IT
Times cited: 2
Editorial: Computational drug discovery for targeting of protein-protein interfaces-Volume II. Frontiers in chemistry. 2023 Editorial Article GET IT
Times cited: 2
Gluten Exorphins Promote Cell Proliferation through the Activation of Mitogenic and Pro-Survival Pathways. International journal of molecular sciences. 2023 Academic Article GET IT
Times cited: 3
Cholesterol occupies the lipid translocation pathway to block phospholipid scrambling by a G protein-coupled receptor. Structure (London, England : 1993). 2022 Academic Article GET IT
Times cited: 6
The Answer Lies in the Energy: How Simple Atomistic Molecular Dynamics Simulations May Hold the Key to Epitope Prediction on the Fully Glycosylated SARS-CoV-2 Spike Protein. The journal of physical chemistry letters. 2020 Academic Article GET IT
Times cited: 37
Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins. Journal of chemical theory and computation. 2020 Academic Article GET IT
Times cited: 12
Tryptophan scanning mutagenesis as a way to mimic the compound-bound state and probe the selectivity of allosteric inhibitors in cells. Chemical science. 2020 Academic Article GET IT
Times cited: 18
A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs. Molecules (Basel, Switzerland). 2019 Academic Article GET IT
Times cited: 56
A Local Allosteric Network in Heat Shock Protein 70 (Hsp70) Links Inhibitor Binding to Enzyme Activity and Distal Protein-Protein Interactions. ACS chemical biology. 2018 Academic Article GET IT
Times cited: 21
How the Ligand-Induced Reorganization of Protein Internal Energies Is Coupled to Conformational Events. Journal of chemical theory and computation. 2018 Academic Article GET IT
Times cited: 12
Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design. Journal of medicinal chemistry. 2018 Review GET IT
Times cited: 73
Prediction and Targeting of Interaction Interfaces in G-protein Coupled Receptor Oligomers. Current topics in medicinal chemistry. 2018 Information Resource GET IT
Times cited: 11
Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin. Structure (London, England : 1993). 2017 Academic Article GET IT
Times cited: 49
Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains. The journal of physical chemistry. B. 2017 Academic Article GET IT
Times cited: 7
Computational studies of G protein-coupled receptor complexes: Structure and dynamics. Methods in cell biology. 2017 Article GET IT
Times cited: 5
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines. Chemistry (Weinheim an der Bergstrasse, Germany). 2016 Academic Article GET IT
Times cited: 29
Allosteric Regulation Points Control the Conformational Dynamics of the Molecular Chaperone Hsp90. Journal of molecular biology. 2016 Academic Article GET IT
Times cited: 61
Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor. ACS chemical neuroscience. 2016 Academic Article GET IT
Times cited: 13
An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back. Scientific reports. 2016 Academic Article GET IT
Times cited: 37
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase. Journal of chemical information and modeling. 2015 Academic Article GET IT
Times cited: 26
Mechanisms of Differential Allosteric Modulation in Homologous Proteins: Insights from the Analysis of Internal Dynamics and Energetics of PDZ Domains. Journal of chemical theory and computation. 2014 Academic Article GET IT
Times cited: 37
Dynamic structure of NGF and proNGF complexed with p75NTR: pro-peptide effect. Journal of chemical information and modeling. 2014 Academic Article GET IT
Times cited: 4
Protein and lipid interactions driving molecular mechanisms of in meso crystallization. Journal of the American Chemical Society. 2014 Academic Article GET IT
Times cited: 17
Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations. PLoS computational biology. 2012 Academic Article GET IT
Times cited: 103
Selecting sequences that fold into a defined 3D structure: A new approach for protein design based on molecular dynamics and energetics. Biophysical chemistry. 2009 Academic Article GET IT
Times cited: 16
Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer. PLoS computational biology. 2009 Academic Article GET IT
Times cited: 130

more ...

less ...

Background

education and training

Ph.D., Free University of Berlin (Germany) 2004
M.A., Universita Statale di Milano (Italy) 1998

Contact

full name

Giulia Morra

primary email

gim2010@med.cornell.edu

VIVO Weill Cornell Medical College

Giulia Morra Adjunct Assistant Professor of Computational Biophysics in Systems and Computational Biomedicine

Publications

selected publications

Background

education and training

Contact

full name

primary email