G. Morra

发表

Understanding Allostery to Design New Drugs

G. Colombo, G. Morra, 2018, Biomolecular Simulations in Structure-Based Drug Discovery.

Molecular recognition and drug-lead identification: what can molecular simulations tell us?

Kenneth M Merz, Giorgio Colombo, Alessandro Genoni, 2010, Current medicinal chemistry.

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

G. Colombo, G. Morra, A. Genoni, 2014, Journal of chemical theory and computation.

Methionine Sulfoxides on Prion Protein Helix-3 Switch on the α-Fold Destabilization Required for Conversion

M. Gasset, G. Colombo, G. Morra, 2009, PloS one.

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

G. Colombo, G. Morra, C. Peri, 2016, Scientific Reports.

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

Guido Scarabelli, Giorgio Colombo, Giulia Morra, 2010, Biophysical journal.

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

I. Moreira, J. Shabbir, G. Morra, 2017, Methods in cell biology.

Investigating allostery in molecular recognition: insights from a computational study of multiple antibody-antigen complexes.

Giorgio Colombo, Dario Corrada, Giulia Morra, 2013, The journal of physical chemistry. B.

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

Giorgio Colombo, Giulia Morra, G. Colombo, 2008, Proteins.

Identification of domains in protein structures from the analysis of intramolecular interactions.

Giorgio Colombo, Alessandro Genoni, Giulia Morra, 2012, The journal of physical chemistry. B.

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

Giorgio Colombo, Alessandro Genoni, Giulia Morra, 2010, Biochemistry.

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

G. Colombo, G. Morra, L. Mollica, 2011, Chemistry, an Asian journal.

Structural and computational biology of the molecular chaperone Hsp90: from understanding molecular mechanisms to computer-based inhibitor design.

Gennady M Verkhivker, A. Dixit, G. Colombo, 2009, Current topics in medicinal chemistry.

A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs

H. Weinstein, G. Morra, G. Khelashvili, 2019, Molecules.

1 A Machine Learning Approach for the Discovery of 2 Ligand-specific Functional Mechanisms of GPCRs 3

Weinstein, G. Morra, G. Khelashvili, 2019 .

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

G. Colombo, G. Morra, M. Meli, 2008, Current protein & peptide science.

Swe1Wee1-dependent tyrosine phosphorylation of Hsp90 regulates distinct facets of chaperone function.

L. Pearl, P. Piper, W. Stetler-Stevenson, 2010, Molecular cell.

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

Gennady Verkhivker, Giorgio Colombo, Gennady M Verkhivker, 2010, Journal of chemical theory and computation.

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

G. Colombo, G. Morra, M. Havenith, 2017, The journal of physical chemistry. B.

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

G. Colombo, E. Moroni, J. Buchner, 2016, Journal of molecular biology.

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

A. Esteras-Chopo, L. Serrano, M. López de la Paz, 2008, Journal of molecular biology.

Protein and Lipid Interactions Driving Molecular Mechanisms of in meso Crystallization

H. Weinstein, M. Caffrey, G. Morra, 2014, Journal of the American Chemical Society.

Bioinformatics Workflow using ASSIST on GRID

L. Milanesi, G. Morra, I. Merelli, 2005 .

Cholesterol occupies the lipid translocation pathway to block phospholipid scrambling by a G protein-coupled receptor.

Asghar M. Razavi, G. Morra, G. Khelashvili, 2022, Structure.

How the Ligand-Induced Reorganization of Protein Internal Energies Is Coupled to Conformational Events.

G. Colombo, G. Morra, M. Meli, 2018, Journal of chemical theory and computation.

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

G. Colombo, G. Morra, A. Genoni, 2016, Chemistry.

Gluten Exorphins Promote Cell Proliferation through the Activation of Mitogenic and Pro-Survival Pathways

G. Morra, S. Comincini, Samman Mansoor, 2023, International journal of molecular sciences.

Redox potential of quinones in photosynthetic reaction centers from Rhodobacter sphaeroides: dependence on protonation of Glu-L212 and Asp-L213.

E. Knapp, G. Morra, Hiroshi Ishikita, 2003, Biochemistry.

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

George Khelashvili, Harel Weinstein, Asghar M. Razavi, 2017, Structure.

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

G. Colombo, E. Moroni, G. Morra, 2018, Journal of medicinal chemistry.

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

Ivan Merelli, Luciano Milanesi, Giorgio Colombo, 2012, PLoS Comput. Biol..

Corresponding Functional Dynamics across the Hsp90 Chaperone Family: Insights from a Multiscale Analysis of MD Simulations

Giorgio Colombo, Raffaello Potestio, Cristian Micheletti, 2012, PLoS Comput. Biol..

Modeling Signal Propagation Mechanisms and Ligand-Based Conformational Dynamics of the Hsp90 Molecular Chaperone Full-Length Dimer

Giorgio Colombo, Gennady Verkhivker, Gennady M Verkhivker, 2009, PLoS Comput. Biol..

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

Giorgio Colombo, Antonella Paladino, Giulia Morra, 2015, J. Chem. Inf. Model..

A Local Allosteric Network in Heat Shock Protein 70 (Hsp70) Links Inhibitor Binding to Enzyme Activity and Distal Protein-Protein Interactions.

G. Colombo, G. Morra, S. Rinaldi, 2018, ACS chemical biology.

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

G. Colombo, E. Moroni, G. Morra, 2020, bioRxiv.

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

L. Milanesi, G. Morra, A. Orro, 2015, Journal of biomolecular structure & dynamics.

Molecular Dynamics Simulations of Hsp90 with an Eye to Inhibitor Design

Elisabetta Moroni, Giorgio Colombo, Giulia Morra, 2012, Pharmaceuticals.

Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins

G. Colombo, G. Morra, M. Meli, 2020, Journal of chemical theory and computation.

Selecting sequences that fold into a defined 3D structure: A new approach for protein design based on molecular dynamics and energetics.

C. Baragli, G. Colombo, G. Morra, 2010, Biophysical chemistry.

Ligand selection from the analysis of protein conformational substates: new leads targeting the N-terminal domain of Hsp90

G. Colombo, G. Morra, A. Genoni, 2012 .

Understanding ligand-based modulation of the Hsp90 molecular chaperone dynamics at atomic resolution

Giorgio Colombo, Giulia Morra, Massimiliano Meli, 2008, Proceedings of the National Academy of Sciences.

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

Ivan Merelli, Luciano Milanesi, Giorgio Colombo, 2016, Scientific Reports.

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

I. Moreira, G. Morra, Ozge Sensoy, 2016, ACS chemical neuroscience.

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

Ernst-Walter Knapp, Gernot Kieseritzky, Giulia Morra, 2005, JBIC Journal of Biological Inorganic Chemistry.

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

M. Natália D. S. Cordeiro, Irina S. Moreira, André Melo, 2014, J. Chem. Inf. Model..

Tryptophan scanning mutagenesis as a way to mimic the compound-bound state and probe the selectivity of allosteric inhibitors in cells†

G. Colombo, G. Morra, S. Rinaldi, 2020, Chemical science.

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

G. Colombo, G. Morra, M. Meli, 2008, Biophysical journal.

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

G. Colombo, G. Morra, L. Mollica, 2011, Chemistry, an Asian journal.

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

G. Colombo, E. Moroni, G. Morra, 2010, BMC Structural Biology.

Prediction and Targeting of Interaction Interfaces in G-protein Coupled Receptor Oligomers.

A. Schiedel, I. Moreira, G. Morra, 2018, Current topics in medicinal chemistry.

Editorial: Computational drug discovery for targeting of protein-protein interfaces—Volume II

A. Pandini, E. Moroni, G. Morra, 2023, Frontiers in Chemistry.

Editorial: Computational Drug Discovery for Targeting of Protein-Protein Interfaces

A. Pandini, G. Morra, M. Meli, 2021, Frontiers in Chemistry.