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Water concentration profiles in membranes measured by ESEEM of spin-labeled lipids.
Electron spin-echo envelope modulation (ESEEM) spectroscopy of phospholipids spin-labeled systematically down the sn-2 chain was used to detect the penetration of water (D2O) into bilayer membranesExpand
Thermodynamics and kinetics of the thermal unfolding of plastocyanin
Abstract The thermal denaturation of plastocyanin in aqueous solution was investigated by means of DSC, ESR and absorbance techniques, with the aim of determining the thermodynamic stability of theExpand
Molecular simulations of β‐lactoglobulin complexed with fatty acids reveal the structural basis of ligand affinity to internal and possible external binding sites
The results show that the presence of such ligands in the hydrophobic central cavity of βLG, known as the protein calyx, determines an enhancement of atomic fluctuations compared with the unliganded form, especially for loops at the entrance of the binding site. Expand
A spectroscopic and calorimetric investigation on the thermal stability of the Cys3Ala/Cys26Ala azurin mutant.
The analysis of the data shows that the thermal transition from the native to the denaturated state of the modified azurin follows the same multistep unfolding pathway as observed in wild type azurIn, and suggests that the disulfide bridge is a structural element that significantly contributes to the high stability of wild type Azurin. Expand
Early stage aggregation of human serum albumin in the presence of metal ions.
The absence of a lag-phase suggests that the early stage aggregation of HSA follows a downhill pathway that does not require the formation of an organized nucleus and is compatible with the binding of the metal ions to the protein in the native state and with the high conformational stability of H SA. Expand
Evidence of reduced flexibility in disulfide bridge-depleted azurin: a molecular dynamics simulation study.
The overall findings show a relevant reduction in flexibility as a consequence of the disulfide bridge depletion in azurin, suggesting that the [bond]SS[b Bond] bond is a structural element which significantly contributes to the dynamic properties of the native protein. Expand
Water penetration profile at the protein-lipid interface in Na,K-ATPase membranes.
The affinity of ionized fatty acids for the Na,K-ATPase is used to determine the transmembrane profile of water penetration at the protein-lipid interface and reveals the higher polarity, and consequently higher intramembrane water concentration, at theprotein-lipids interface. Expand
Stereoselective and domain‐specific effects of ibuprofen on the thermal stability of human serum albumin
The overall results attest that the binding of ibuprofen determines on albumin a stereoselective and domain‐specific stabilization with a predominantly entropic character, contributing to clarify significant aspects of the molecular mechanism of protein/drug interaction. Expand
Active site modeling in copper azurin molecular dynamics simulations
The results show that the different charge values do not lead to relevant effects on the geometry of the active site of the protein, as long as bond distance constraints are used for all the five ligand atoms. Expand
A molecular dynamics simulation study of the solvent isotope effect on copper plastocyanin.
An analysis of the protein-solvent coupling evidenced that D2O makes the H-bond formation more difficult with the solvent molecules for positively charged and polar residues, while an opposite trend is observed for negatively charged residues. Expand