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Publications associées (30)

Two-Fold Odd-Even Effect in Self-Assembled Nanowires from Oligopeptide-Polymer-Substituted Perylene Bisimides

Holger Frauenrath, Robin Nigon, Roman Niklaus Marty, Deborah Leite

Organic nanowires are important building blocks for nanoscopic organic electronic devices. In order to ensure efficient charge transport through such nanowires, it is important to understand in detail the molecular parameters that guide self-assembly of pi ...

Amer Chemical Soc2014

Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-beta

Fabio Pietrucci

By extended atomistic simulations in explicit solvent and bias-exchange metadynamics, we study the aggregation process of 18 chains of the C-terminal segment of amyloid-beta, an intrinsically disordered protein involved in Alzheimer's disease and prone to ...

Amer Physical Soc2013

Prion versus Doppel Protein Misfolding: New Insights from Replica-Exchange Molecular Dynamics Simulations

Ursula Röthlisberger, Ivano Tavernelli

The doppel (Dpl) and prion (PrP) proteins share a very similar fold (three helices and two short beta-strands), while they differ significantly in sequence (only 25% homologous) and in disease-related beta-rich conformations that occur for PrP only. In a p ...

American Chemical Society2013

Mechanism to Trigger Unfolding in O6--Alkylguanine-DNA Alkyltransferase

Ursula Röthlisberger, Elizabeth Claire Brunk, Birgit Mollwitz

O6-alkylguanine-DNA alkyltransferase (AGT) adopts a non-enzymatic suicide mechanism for the repair of methylated guanine bases by transferring the methyl adduct to itself, thereby initiating unfolding and fast degradation. Classical molecular dynamics simu ...

Wiley-Blackwell2013

Multidimensional View of Amyloid Fibril Nucleation in Atomistic Detail

Fabio Pietrucci

Starting from a disordered aggregate, we have simulated the formation of ordered amyloid-like beta structures in a system formed by 18 polyvaline chains in explicit solvent, employing molecular dynamics accelerated by bias-exchange metadynamics. We exploit ...

2012

Time Scales of Slow Motions in Ubiquitin Explored by Heteronuclear Double Resonance

Geoffrey Bodenhausen, Simone Ulzega, Nicola Salvi, Fabien Ferrage

Understanding how proteins function at the atomic level relies in part on a detailed characterization of their dynamics. Ubiquitin, a small single-domain protein, displays rich dynamic properties over a wide range of time scales. In particular, several reg ...

2012

Investigation of Protein Aggregation with a Bloch Surface Wave Sensor

Hans Peter Herzig, Vincent Paeder, Lubos Hvozdara, Valeria Musi, Sara Santi

We present a study of the dynamics of protein aggregation using a common path heterodyne Bloch surface wave label-free sensing scheme. We demonstrate the ability to detect, during thermal incubation, the first early dynamics events of protein aggregation a ...

2011

Synchrotron Infrared Microspectroscopy Detecting the Evolution of Huntington's Disease Neuropathology and Suggesting Unique Correlates of Dysfunction in White versus Gray Brain Matter

László Forró, Sylvia Jeney, Heike Runne, Markus Bonda

Huntington's disease (HD), caused by a mutation of the corresponding gene encoding the protein huntingtin (htt), is characterized by progressive deterioration of cognitive and motor functions, paralleled by extensive loss of striatal neurons. At the cellul ...

2011

Coiled coils: attractive protein folding motifs for the fabrication of self-assembled, responsive and bioactive materials

Harm-Anton Klok, Maarten Danial

The coiled coil is a superhelical protein structural motif that consists of two or more alpha-helical peptides that are wrapped around each other in superhelical fashion. Coiled coils are amongst the most ubiquitous folding motifs found in proteins and hav ...

Royal Society of Chemistry2010

Radical Stability Directs Electron Capture and Transfer Dissociation of Beta-Amino Acids in Peptides

Yury Tsybin, Hisham Ben Hamidane, Aleksey Vorobyev

We report on the characteristics of the radical-ion-driven dissociation of a diverse array of beta-amino acids incorporated into alpha-peptides, as probed by tandem electron-capture and electron-transfer dissociation (ECD/ETD) mass spectrometry. The report ...

2010

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