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List of works by Giorgio Saladino

A Simple Mechanism Underlying the Effect of Protecting Osmolytes on Protein Folding.

scientific article published on 6 October 2011

A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors

scientific article published on 17 May 2016

A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors

article published in 2016

A molecular dynamics study of an endostatin-derived peptide with antiangiogenic activity and of its mutants

An Allosteric Cross-Talk Between the Activation Loop and the ATP Binding Site Regulates the Activation of Src Kinase

scientific article published on 11 April 2016

Assessing the Performance of Metadynamics and Path Variables in Predicting the Binding Free Energies of p38 Inhibitors

article

Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase

scientific article

Bridging the Gap between Folding Simulations and Experiments: The Case of the Villin Headpiece

scientific article published on 3 August 2011

Changes in the folding landscape of the WW domain provide a molecular mechanism for an inherited genetic syndrome

scientific article published on 26 July 2016

Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations

scientific article published on 26 April 2017

Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase

scientific article published on 18 April 2016

Conformational transition of FGFR kinase activation revealed by site-specific unnatural amino acid reporter and single molecule FRET.

scientific article

DENPOL: A new program to determine electron densities of polypeptides using extremely localized molecular orbitals

Efficient Numerical Reconstruction of Protein Folding Kinetics with Partial Path Sampling and Pathlike Variables

scientific article published in Physical Review Letters

In silico design of tubulin-targeted antimitotic peptides

scientific article published on 23 October 2009

Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms

scientific article

Metadynamics Study of a β-Hairpin Stability in Mixed Solvents

scientific article published in 2011

Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases

scientific article published on 25 January 2016

Molecular Mechanism of SSR128129E, an Extracellularly Acting, Small-Molecule, Allosteric Inhibitor of FGF Receptor Signaling

Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling

scientific article

New Insights into the Molecular Mechanism of E-Cadherin-Mediated Cell Adhesion by Free Energy Calculations

scientific article published on 01 April 2015

New insights in protein kinase conformational dynamics

scientific article published on January 2012

The Role of Protein Loops and Linkers in Conformational Dynamics and Allostery

scientific article published on 18 February 2016

The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor

scientific article

Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics

scientific article

Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations

scientific article published on 11 October 2016

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