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Items: 1 to 20 of 42


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

Grasso G, Mercuri S, Danani A, Deriu MA.

J Phys Chem B. 2019 Dec 19;123(50):10622-10630. doi: 10.1021/acs.jpcb.9b08106. Epub 2019 Dec 11.


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

Formicola B, Dal Magro R, Montefusco-Pereira CV, Lehr CM, Koch M, Russo L, Grasso G, Deriu MA, Danani A, Bourdoulous S, Re F.

J Nanobiotechnology. 2019 Nov 11;17(1):115. doi: 10.1186/s12951-019-0546-3.


Steroid identification via deep learning retention time predictions and two-dimensional gas chromatography-high resolution mass spectrometry.

Randazzo GM, Bileck A, Danani A, Vogt B, Groessl M.

J Chromatogr A. 2020 Feb 8;1612:460661. doi: 10.1016/j.chroma.2019.460661. Epub 2019 Oct 28.


Effect of Lactose Pseudopolymorphic Transition on the Aerosolization Performance of Drug/Carrier Mixtures.

Della Bella A, Müller M, Danani A, Soldati L, Bettini R.

Pharmaceutics. 2019 Nov 4;11(11). pii: E576. doi: 10.3390/pharmaceutics11110576.


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

Grasso G, Leanza L, Morbiducci U, Danani A, Deriu MA.

J Biomol Struct Dyn. 2019 Oct 7:1-8. doi: 10.1080/07391102.2019.1671224. [Epub ahead of print]


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

Dal Magro R, Simonelli S, Cox A, Formicola B, Corti R, Cassina V, Nardo L, Mantegazza F, Salerno D, Grasso G, Deriu MA, Danani A, Calabresi L, Re F.

Front Neurosci. 2019 May 16;13:419. doi: 10.3389/fnins.2019.00419. eCollection 2019.


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

Grasso G, Rebella M, Morbiducci U, Tuszynski JA, Danani A, Deriu MA.

Front Bioeng Biotechnol. 2019 Apr 24;7:83. doi: 10.3389/fbioe.2019.00083. eCollection 2019.


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

Gorzkiewicz M, Deriu MA, Studzian M, Janaszewska A, Grasso G, Pułaski Ł, Appelhans D, Danani A, Klajnert-Maculewicz B.

Biomacromolecules. 2019 Mar 11;20(3):1429-1442. doi: 10.1021/acs.biomac.9b00010. Epub 2019 Feb 18.


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

Deriu MA, Tsapis N, Noiray M, Grasso G, El Brahmi N, Mignani S, Majoral JP, Fattal E, Danani A.

Nanoscale. 2018 Jun 14;10(23):10952-10962. doi: 10.1039/c8nr01928b.


Cell penetrating peptide modulation of membrane biomechanics by Molecular dynamics.

Grasso G, Muscat S, Rebella M, Morbiducci U, Audenino A, Danani A, Deriu MA.

J Biomech. 2018 May 17;73:137-144. doi: 10.1016/j.jbiomech.2018.03.036. Epub 2018 Apr 4.


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

Gentile F, Deriu MA, Barakat K, Danani A, Tuszynski J.

Pharmaceuticals (Basel). 2018 Feb 16;11(1). pii: E22. doi: 10.3390/ph11010022.


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

Grasso G, Rebella M, Muscat S, Morbiducci U, Tuszynski J, Danani A, Deriu MA.

Int J Mol Sci. 2018 Feb 14;19(2). pii: E571. doi: 10.3390/ijms19020571.


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

Grasso G, Morbiducci U, Massai D, Tuszynski JA, Danani A, Deriu MA.

Biophys J. 2018 Jan 23;114(2):323-330. doi: 10.1016/j.bpj.2017.11.025.


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

Deriu MA, Cangiotti M, Grasso G, Licandro G, Lavasanifar A, Tuszynski JA, Ottaviani MF, Danani A.

Langmuir. 2017 Dec 19;33(50):14460-14471. doi: 10.1021/acs.langmuir.7b03168. Epub 2017 Dec 11.


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

Grasso G, Deriu MA, Patrulea V, Borchard G, Möller M, Danani A.

PLoS One. 2017 Oct 31;12(10):e0186816. doi: 10.1371/journal.pone.0186816. eCollection 2017.


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

Ayoub AT, Staelens M, Prunotto A, Deriu MA, Danani A, Klobukowski M, Tuszynski JA.

Int J Mol Sci. 2017 Sep 22;18(10). pii: E2042. doi: 10.3390/ijms18102042.


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

Grasso G, Tuszynski JA, Morbiducci U, Licandro G, Danani A, Deriu MA.

Biol Direct. 2017 Jan 19;12(1):2. doi: 10.1186/s13062-016-0173-y.


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

Deriu MA, Grasso G, Tuszynski JA, Massai D, Gallo D, Morbiducci U, Danani A.

Proteins. 2016 May;84(5):666-73. doi: 10.1002/prot.25017. Epub 2016 Mar 9.


Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates.

Deriu MA, Grasso G, Tuszynski JA, Gallo D, Morbiducci U, Danani A.

PLoS Comput Biol. 2016 Jan 8;12(1):e1004699. doi: 10.1371/journal.pcbi.1004699. eCollection 2016 Jan.


Conformational fluctuations of the AXH monomer of Ataxin-1.

Grasso G, Deriu MA, Tuszynski JA, Gallo D, Morbiducci U, Danani A.

Proteins. 2016 Jan;84(1):52-9. doi: 10.1002/prot.24954. Epub 2015 Nov 23.


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