List of works - Andrea Spitaleri

2D TR-NOESY experiments interrogate and rank ligand-receptor interactions in living human cancer cells

scientific article

A Novel HRAS Mutation Independently Contributes to Left Ventricular Hypertrophy in a Family with a Known MYH7 Mutation

scientific article

Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

scientific article published on 03 August 2018

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.

scientific article published on 17 January 2018

Determination of protein-ligand binding modes using complexation-induced changes in (1)h NMR chemical shift.

scientific article published on 27 March 2008

Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking

scientific article published on 15 October 2021

Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study

scientific article

Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach

scientific article published on 19 January 2018

Glycyrrhizin binds to high-mobility group box 1 protein and inhibits its cytokine activities

scientific article published on April 2007

Identification of a novel de novo deletion in RAF1 associated with biventricular hypertrophy in Noonan syndrome.

scientific article

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

scientific article

Metadynamics Simulations Rationalise the Conformational Effects Induced by N-Methylation of RGD Cyclic Hexapeptides

scientific article published on 6 August 2015

Molecular Dynamics Reveal that isoDGR-Containing Cyclopeptides Are True αvβ3 Antagonists Unable To Promote Integrin Allostery and Activation

scholarly article by Michela Ghitti et al published 20 June 2012 in Angewandte Chemie International Edition

NMR and computational methods in the structural and dynamic characterization of ligand-receptor interactions.

scientific article published on January 2014

Nephrocystin-1 forms a complex with polycystin-1 via a polyproline motif/SH3 domain interaction and regulates the apoptotic response in mammals

scientific article

Oxidation-induced structural changes of ceruloplasmin foster NGR motif deamidation that promotes integrin binding and signaling

scientific article published on 23 December 2013

Rapid SARS-CoV-2 Intra-Host and Within-Household Emergence of Novel Haplotypes

scientific article published in 2022

Structural basis for the interaction of isoDGR with the RGD-binding site of alphavbeta3 integrin

scientific article

Tailbiter: a new amide foldamer

scientific article published in July 2005

The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation

scientific article

Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case

scientific article published on 10 December 2020

Use of Metadynamics in the Design of isoDGR-Based αvβ3 Antagonists To Fine-Tune the Conformational Ensemble

scientific article published on 18 January 2011

Whole genome sequencing of multidrug-resistant Mycobacterium tuberculosis isolates collected in the Czech Republic, 2005-2020

scientific article published on 03 May 2022

List of works by Andrea Spitaleri

2D TR-NOESY experiments interrogate and rank ligand-receptor interactions in living human cancer cells

A Novel HRAS Mutation Independently Contributes to Left Ventricular Hypertrophy in a Family with a Known MYH7 Mutation

Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.

Determination of protein-ligand binding modes using complexation-induced changes in (1)h NMR chemical shift.

Enhanced Molecular Dynamics Method to Efficiently Increase the Discrimination Capability of Computational Protein-Protein Docking

Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study

Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach

Glycyrrhizin binds to high-mobility group box 1 protein and inhibits its cytokine activities

Identification of a novel de novo deletion in RAF1 associated with biventricular hypertrophy in Noonan syndrome.

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

Metadynamics Simulations Rationalise the Conformational Effects Induced by N-Methylation of RGD Cyclic Hexapeptides

Molecular Dynamics Reveal that isoDGR-Containing Cyclopeptides Are True αvβ3 Antagonists Unable To Promote Integrin Allostery and Activation

NMR and computational methods in the structural and dynamic characterization of ligand-receptor interactions.

Nephrocystin-1 forms a complex with polycystin-1 via a polyproline motif/SH3 domain interaction and regulates the apoptotic response in mammals

Oxidation-induced structural changes of ceruloplasmin foster NGR motif deamidation that promotes integrin binding and signaling

Rapid SARS-CoV-2 Intra-Host and Within-Household Emergence of Novel Haplotypes

Structural basis for the interaction of isoDGR with the RGD-binding site of alphavbeta3 integrin

Tailbiter: a new amide foldamer

The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation

Tuning Local Hydration Enables a Deeper Understanding of Protein-Ligand Binding: The PP1-Src Kinase Case

Use of Metadynamics in the Design of isoDGR-Based αvβ3 Antagonists To Fine-Tune the Conformational Ensemble

Whole genome sequencing of multidrug-resistant Mycobacterium tuberculosis isolates collected in the Czech Republic, 2005-2020