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List of works by Marco Agostino Deriu

A Novel Interaction Between the TLR7 and a Colchicine Derivative Revealed Through a Computational and Experimental Study.

scientific article published on 16 February 2018

A Versatile Bioreactor for Dynamic Suspension Cell Culture. Application to the Culture of Cancer Cell Spheroids

scientific article (publication date: 2016)

A hydrophobic gold surface triggers misfolding and aggregation of the amyloidogenic Josephin domain in monomeric form, while leaving the oligomers unaffected

scientific article

A molecular dynamics study of a miRNA:mRNA interaction.

scientific article published on 12 February 2011

A rational approach to defining principal axes of multidirectional wall shear stress in realistic vascular geometries, with application to the study of the influence of helical flow on wall shear stress directionality in aorta.

scientific article published on 25 February 2015

Aminoacid substitutions in the glycine zipper affect the conformational stability of amyloid beta fibrils

scientific article published on 07 October 2019

Anisotropic elastic network modeling of entire microtubules. ⬇️

scientific article published on October 2010

Biofunctionalization of Silica Nanoparticles with Cell-Penetrating Peptides: Adsorption Mechanism and Binding Energy Estimation

scientific article published on 11 December 2019

Biomechanics of actin filaments: a computational multi-level study

scientific article published on 04 December 2010

Cell Penetrating Peptide Adsorption on Magnetite and Silica Surfaces: A Computational Investigation

scientific article published on 18 June 2015

Cell penetrating peptide modulation of membrane biomechanics by Molecular dynamics.

scientific article published on 4 April 2018

Characterization of the AXH domain of Ataxin-1 using enhanced sampling and functional mode analysis.

scientific article published on 15 February 2016

Conformational Dynamics and Stability of U-Shaped and S-Shaped Amyloid β Assemblies.

scientific article published on 14 February 2018

Conformational fluctuations of the AXH monomer of Ataxin-1.

scientific article

Correction: Electro-Acoustic Behavior of the Mitotic Spindle: A Semi-Classical Coarse-Grained Model

scientific article published in PLoS ONE

Deformation pattern in vibrating microtubule: Structural mechanics study based on an atomistic approach

scientific article published on 26 June 2017

Destabilizing the AXH Tetramer by Mutations: Mechanisms and Potential Antiaggregation Strategies

scientific article published in January 2018

Electro-acoustic behavior of the mitotic spindle: a semi-classical coarse-grained model.

scientific article

Elucidating the role of surface chemistry on cationic phosphorus dendrimer–siRNA complexation

scientific article from 2018

Explaining the Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van der Waals and Solvation Energy

scientific article published on 22 September 2017

Fludarabine-Specific Molecular Interactions with Maltose-Modified Poly(propyleneimine) Dendrimer Enable Effective Cell Entry of the Active Drug Form: Comparison with Clofarabine

scientific article published on 18 February 2019

Free energy landscape of siRNA-polycation complexation: Elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization.

scientific article published on 31 October 2017

Identification of a model of non-esterified fatty acids dynamics through genetic algorithms: the case of women with a history of gestational diabetes

scientific article published on 18 February 2011

Insights into the Effect of the G245S Single Point Mutation on the Structure of p53 and the Binding of the Protein to DNA.

scientific article published on 16 August 2017

Investigation of the Josephin Domain protein-protein interaction by molecular dynamics

scientific article

Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates

scientific article

Mechanical model of the tubulin dimer based on molecular dynamics simulations

scientific article published on 01 August 2008

Mechanical response and conformational changes of alpha-actinin domains during unfolding: a molecular dynamics study

scientific article published on 18 November 2006

Modeling methodology for defining a priori the hydrodynamics of a dynamic suspension bioreactor. Application to human induced pluripotent stem cell culture

scientific article published on 25 July 2019

Multiscale impact of nucleotides and cations on the conformational equilibrium, elasticity and rheology of actin filaments and crosslinked networks

scientific article published on 24 February 2015

Multiscale modeling of cellular actin filaments: from atomistic molecular to coarse-grained dynamics

scientific article published on 13 March 2012

Multivalent interacting glycodendrimer to prevent amyloid-peptide fibril formation induced by Cu(II): A multidisciplinary approach

Numerical and experimental characterization of a novel modular passive micromixer

scientific article

On the importance of blood rheology for bulk flow in hemodynamic models of the carotid bifurcation

scientific article published on 12 July 2011

On the use of in vivo measured flow rates as boundary conditions for image-based hemodynamic models of the human aorta: implications for indicators of abnormal flow.

scientific article

Outflow conditions for image-based hemodynamic models of the carotid bifurcation: implications for indicators of abnormal flow.

scientific article published on September 2010

Protein Environment: A Crucial Triggering Factor in Josephin Domain Aggregation: The Role of 2,2,2-Trifluoroethanol

scientific article published on 24 July 2018

Self-Assembled Ligands Targeting TLR7: A Molecular Level Investigation.

scientific article published on 4 December 2017

Structure Based Modeling of Small Molecules Binding to the TLR7 by Atomistic Level Simulations.

scientific article published on 8 May 2015

The Extent of Human Apolipoprotein A-I Lipidation Strongly Affects the β-Amyloid Efflux Across the Blood-Brain Barrier in vitro

scientific article published on 16 May 2019

The Role of Structural Polymorphism in Driving the Mechanical Performance of the Alzheimer's Beta Amyloid Fibrils

scientific article published on 24 April 2019

The synergistic effect of chlorotoxin-mApoE in boosting drug-loaded liposomes across the BBB

scientific article published on 11 November 2019

Thermodynamic and kinetic stability of the Josephin Domain closed arrangement: evidences from replica exchange molecular dynamics

scientific article published on 19 January 2017

Ultrasonic waves effect on S-shaped β-amyloids conformational dynamics by non-equilibrium molecular dynamics

scientific article published on 24 December 2019

Using the Gibbs Function as a Measure of Human Brain Development Trends from Fetal Stage to Advanced Age

scientific article published on 07 February 2020

Virtual screening using covalent docking to find activators for G245S mutant p53

scientific article published in PLoS ONE

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