Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1

Quantum Mechanics/Molecular Mechanics Density Functional Theory Simulations of the Optical Properties Fingerprinting the Ligand-Binding of Pentameric Formyl Thiophene Acetic Acid in Amyloid-β(1–42)

Published:2020-01-10 Issue:5 Volume:124 Page:875-888
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Gustafsson Camilla¹^ORCID,Linares Mathieu¹²³⁴^ORCID,Norman Patrick¹^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-106 91 Stockholm, Sweden

2. Laboratory of Organic Electronics, ITN, Linköping University, 581 83 LinköpingSweden

3. Scientific Visualization Group, ITN, Linköping University, 581 83 Linköping, Sweden

4. Swedish e-Science Research Center (SeRC), Linköping University, 581 83 LinköpingSweden

Funder

Vetenskapsr?det

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b09779

Reference54 articles.

1. Protein aggregation and neurodegenerative disease

2. Special Issue: The Molecular and Cellular Mechanisms of Amyloidosis

3. Protein Misfolding, Functional Amyloid, and Human Disease

4. The influence of polarization functions on molecular orbital hydrogenation energies

5. [ 18 F]T807, a novel tau positron emission tomography imaging agent for Alzheimer's disease

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