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 …
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 …
Intrinsically Disordered Proteins in Human Diseases: Introducing the D2 Concept
Intrinsically disordered proteins (IDPs) lack stable tertiary and/or secondary structures under
physiological conditions in vitro. They are highly abundant in nature and their functional …
physiological conditions in vitro. They are highly abundant in nature and their functional …
Trace elements in human physiology and pathology. Copper
H Tapiero, DM Townsend, KD Tew - Biomedicine & pharmacotherapy, 2003 - Elsevier
Copper is a trace element, important for the function of many cellular enzymes. Copper ions
can adopt distinct redox states oxidized Cu (II) or reduced (I), allowing the metal to play a …
can adopt distinct redox states oxidized Cu (II) or reduced (I), allowing the metal to play a …
Conformational constraints for amyloid fibrillation: the importance of being unfolded
VN Uversky, AL Fink - Biochimica et Biophysica Acta (BBA)-Proteins and …, 2004 - Elsevier
Recent reports give strong support to the idea that amyloid fibril formation and the
subsequent development of protein deposition diseases originate from conformational …
subsequent development of protein deposition diseases originate from conformational …
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 …
Copper binding to the amyloid-β (Aβ) peptide associated with Alzheimer's disease: folding, coordination geometry, pH dependence, stoichiometry, and affinity of Aβ-(1 …
There is now direct evidence that copper is bound to amyloid-β peptide (Aβ) in senile plaque
of Alzheimer's disease. Copper is also linked with the neurotoxicity of Aβ and free radical …
of Alzheimer's disease. Copper is also linked with the neurotoxicity of Aβ and free radical …
Interaction of α-synuclein with divalent metal ions reveals key differences: A link between structure, binding specificity and fibrillation enhancement
The aggregation of α-synuclein (AS) is characteristic of Parkinson's disease and other
neurodegenerative synucleinopathies. Interactions with metal ions affect dramatically the …
neurodegenerative synucleinopathies. Interactions with metal ions affect dramatically the …
[PDF][PDF] Evolutionary rate heterogeneity in proteins with long disordered regions.
CJ Brown, S Takayama, AM Campen… - Journal of molecular …, 2002 - researchgate.net
The dominant view in protein science is that a three-dimensional 3-D) structure is a
prerequisite for protein function. In contrast to this dominant view, there are many …
prerequisite for protein function. In contrast to this dominant view, there are many …
Structural characterization of copper (II) binding to α-synuclein: Insights into the bioinorganic chemistry of Parkinson's disease
The aggregation of α-synuclein (AS) is characteristic of Parkinson's disease and other
neurodegenerative synucleinopathies. We demonstrate here that Cu (II) ions are effective in …
neurodegenerative synucleinopathies. We demonstrate here that Cu (II) ions are effective in …