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Mixed quantum mechanical/molecular mechanical molecular dynamics simulations of biological systems in ground and electronically excited states
The quantum nature of electrons and nuclei is manifested in countless biological events
including the rearrangements of electrons in biochemical reactions, electron and proton …
including the rearrangements of electrons in biochemical reactions, electron and proton …
Metals in neurobiology: probing their chemistry and biology with molecular imaging
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 …
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 …
damage: an upper limit of 10-18 M for the free concentration of Cu (II) in unstressed cells has …
Physiology of the prion protein
Prion diseases are transmissible spongiform encephalopathies (TSEs), attributed to
conformational conversion of the cellular prion protein (PrPC) into an abnormal conformer …
conformational conversion of the cellular prion protein (PrPC) into an abnormal conformer …
Location and properties of metal-binding sites on the human prion protein
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 …
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 …
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 …
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
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 …
terminal region of human PrP contains four sequential copies of the highly conserved …
[HTML][HTML] Cellular prion protein transduces neuroprotective signals
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 …
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 …
of this technique in various fields of inorganic, organometallic, and analytical chemistry has …