Disclosing the Interaction of Gold Nanoparticles with Aβ(1–40) Monomers through Replica Exchange Molecular Dynamics Simulations

Unraveling the complexity of amyloid polymorphism using gold nanoparticles and cryo-EM

(2020) Urszula Cendrowska et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Insights into the Effect of Curcumin and (–)-Epigallocatechin-3-Gallate on the Aggregation of Aβ(1–40) Monomers by Means of Molecular Dynamics

(2020) Francesco Tavanti et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computational Insights into the Binding of Monolayer-Capped Gold Nanoparticles onto Amyloid-β Fibrils

(2020) Francesco Tavanti et al.   ACS Chemical Neuroscience

Amyloidosis inhibition, a new frontier of the protein corona

(2020) Pengyu Chen et al.   Nano Today

Aggregation States of Aβ1–40, Aβ1–42 and Aβp3–42 Amyloid Beta Peptides: A SANS Study

(2019) Giulia Festa et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with β2-microglobulin

(2019) Giorgia Brancolini et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Computational screening of nanoparticles coupling to Aβ40 peptides and fibrils

(2019) Soumyo Sen et al.   Scientific Reports

Nanoparticle Interactions Guided by Shape-Dependent Hydrophobic Forces

(2018) Shu Fen Tan et al.   ADVANCED MATERIALS

Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1–40) Fibrils

(2018) Francesco Tavanti et al.   MOLECULES

Citrate stabilized gold nanoparticles interfere with amyloid fibril formation: D76N and ΔN6 β2-microglobulin variants

(2018) Giorgia Brancolini et al.   Nanoscale

Blood-Brain Delivery Methods Using Nanotechnology

(2018) Daniel Teleanu et al.   Pharmaceutics

Fibrillation-prone conformations of the amyloid-β-42 peptide at the gold/water interface

(2017) Luca Bellucci et al.   Nanoscale

Does Replica Exchange with Solute Tempering Efficiently Sample Aβ Peptide Conformational Ensembles?

(2016) Amy K. Smith et al.   Journal of Chemical Theory and Computation

Advances in the Simulation of Protein Aggregation at the Atomistic Scale

(2016) Martín Carballo-Pacheco et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probing the Influence of Citrate-Capped Gold Nanoparticles on an Amyloidogenic Protein

(2015) Giorgia Brancolini et al.   ACS Nano

Atomistic Simulations of Coating of Silver Nanoparticles with Poly(vinylpyrrolidone) Oligomers: Effect of Oligomer Chain Length

(2015) Alexander Kyrychenko et al.   Journal of Physical Chemistry C

Control of Protein Orientation on Gold Nanoparticles

(2015) Wayne Lin et al.   Journal of Physical Chemistry C

Amyloid Polymorphism: Structural Basis and Neurobiological Relevance

(2015) Robert Tycko   NEURON

A closer look into the ubiquitin corona on gold nanoparticles by computational studies

(2015) Francesco Tavanti et al.   NEW JOURNAL OF CHEMISTRY

Structural Conversion of Aβ17–42 Peptides from Disordered Oligomers to U-Shape Protofilaments via Multiple Kinetic Pathways

(2015) Mookyung Cheon et al.   PLoS Computational Biology

Accelerating the Conformational Sampling of Intrinsically Disordered Proteins

(2014) Trang Nhu Do et al.   Journal of Chemical Theory and Computation

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

(2014) Katarzyna B. Koziara et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

3D NMR structure of a complex between the amyloid beta peptide (1–40) and the polyphenol ε-viniferin glucoside: Implications in Alzheimer's disease

(2013) Tristan Richard et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Aβ Monomers Transiently Sample Oligomer and Fibril-Like Configurations: Ensemble Characterization Using a Combined MD/NMR Approach

(2013) David J. Rosenman et al.   JOURNAL OF MOLECULAR BIOLOGY

Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics

(2013) D. Granata et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

(2011) Nathan Schmid et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

REVIEW: Curcumin and Alzheimer's Disease

(2010) Tsuyoshi Hamaguchi et al.   CNS Neuroscience & Therapeutics

A series of PDB related databases for everyday needs

(2010) R. P. Joosten et al.   NUCLEIC ACIDS RESEARCH

Amyloid fibrils

(2010) Roma N. Rambaran et al.   Prion

Physical Activity, Diet, and Risk of Alzheimer Disease

(2009) Nikolaos Scarmeas   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Molecular structural basis for polymorphism in Alzheimer's  -amyloid fibrils

(2008) A. K. Paravastu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA