Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations

Fibril structure of amyloid-β(1–42) by cryo–electron microscopy

(2017) Lothar Gremer et al.   SCIENCE

Atomic Resolution Structure of Monomorphic Aβ42 Amyloid Fibrils

(2016) Michael T. Colvin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic-resolution structure of a disease-relevant Aβ(1–42) amyloid fibril

(2016) Marielle Aulikki Wälti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular Structure of Aggregated Amyloid-β: Insights from Solid-State Nuclear Magnetic Resonance

(2016) Robert Tycko   Cold Spring Harbor Perspectives in Medicine

A Palette of Fluorescent Thiophene-Based Ligands for the Identification of Protein Aggregates

(2015) Hamid Shirani et al.   CHEMISTRY-A EUROPEAN JOURNAL

Distinct Spacing Between Anionic Groups: An Essential Chemical Determinant for Achieving Thiophene-Based Ligands to Distinguish β-Amyloid or Tau Polymorphic Aggregates

(2015) Therése Klingstedt et al.   CHEMISTRY-A EUROPEAN JOURNAL

Structure-based drug design identifies polythiophenes as antiprion compounds

(2015) Uli S. Herrmann et al.   Science Translational Medicine

Pentameric Thiophene-Based Ligands that Spectrally Discriminate Amyloid-β and Tau Aggregates Display Distinct Solvatochromism and Viscosity-Induced Spectral Shifts

(2014) Rozalyn A. Simon et al.   CHEMISTRY-A EUROPEAN JOURNAL

QM/MM-MD Simulations of Conjugated Polyelectrolytes: A Study of Luminescent Conjugated Oligothiophenes for Use as Biophysical Probes

(2014) Jonas Sjöqvist et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Toward a Molecular Understanding of the Detection of Amyloid Proteins with Flexible Conjugated Oligothiophenes

(2014) Jonas Sjöqvist et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Special Issue: The Molecular and Cellular Mechanisms of Amyloidosis

(2012) Sheena E. Radford et al.   JOURNAL OF MOLECULAR BIOLOGY

The Amyloid-Congo Red Interface at Atomic Resolution

(2011) Anne K. Schütz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

Novel Pentameric Thiophene Derivatives forin Vitroandin VivoOptical Imaging of a Plethora of Protein Aggregates in Cerebral Amyloidoses

(2009) Andreas Åslund et al.   ACS Chemical Biology

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY