Mixed quantum mechanical/molecular mechanical molecular dynamics simulations of biological systems in ground and electronically excited states

E Brunk, U Rothlisberger - Chemical reviews, 2015 - ACS Publications
The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …

Metals in neurobiology: probing their chemistry and biology with molecular imaging

EL Que, DW Domaille, CJ Chang - Chemical reviews, 2008 - ACS Publications
The brain is a singular organ of unique biological complexity that serves as the command
center for cognitive and motor function. As such, this specialized system also possesses a …

Copper homeostasis and neurodegenerative disorders (Alzheimer's, prion, and Parkinson's diseases and amyotrophic lateral sclerosis)

E Gaggelli, H Kozlowski, D Valensin… - Chemical …, 2006 - ACS Publications
Copper is too redox active to exist in an unbound form in the cell without causing oxidative
damage: an upper limit of 10-18 M for the free concentration of Cu (II) in unstressed cells has …

Physiology of the prion protein

R Linden, VR Martins, MAM Prado… - Physiological …, 2008 - journals.physiology.org
Prion diseases are transmissible spongiform encephalopathies (TSEs), attributed to
conformational conversion of the cellular prion protein (PrPC) into an abnormal conformer …

Location and properties of metal-binding sites on the human prion protein

GS Jackson, I Murray, LLP Hosszu, N Gibbs… - Proceedings of the …, 2001 - pnas.org
Although a functional role in copper binding has been suggested for the prion protein,
evidence for binding at affinities characteristic of authentic metal-binding proteins has been …

[HTML][HTML] Fluorescence as a method to reveal structures and membrane-interactions of amyloidogenic proteins

LA Munishkina, AL Fink - Biochimica et Biophysica Acta (BBA) …, 2007 - Elsevier
Amyloidogenesis is a characteristic feature of the 40 or so known protein deposition
diseases, and accumulating evidence strongly suggests that self-association of misfolded …

Copper binding in the prion protein

GL Millhauser - Accounts of Chemical Research, 2004 - ACS Publications
A conformational change of the prion protein is responsible for a class of neurodegenerative
diseases called the transmissible spongiform encephalopathies that include mad cow …

Molecular features of the copper binding sites in the octarepeat domain of the prion protein

CS Burns, E Aronoff-Spencer, CM Dunham, P Lario… - Biochemistry, 2002 - ACS Publications
Recent evidence suggests that the prion protein (PrP) is a copper binding protein. The N-
terminal region of human PrP contains four sequential copies of the highly conserved …

[HTML][HTML] Cellular prion protein transduces neuroprotective signals

LB Chiarini, ARO Freitas, SM Zanata… - The EMBO …, 2002 - embopress.org
To test for a role for the cellular prion protein (PrP c) in cell death, we used a PrP c‐binding
peptide. Retinal explants from neonatal rats or mice were kept in vitro for 24 h, and …

Electrospray mass spectrometry (ESI‐MS) in the study of metal–ligand solution equilibria

VB Di Marco, GG Bombi - Mass Spectrometry Reviews, 2006 - Wiley Online Library
In the 20 years, since the introduction of electrospray mass spectrometry (ESI‐MS), the use
of this technique in various fields of inorganic, organometallic, and analytical chemistry has …