Pseudocontact shifts in biomolecular NMR spectroscopy
T Müntener, D Joss, D Häussinger… - Chemical Reviews, 2022 - ACS Publications
Paramagnetic centers in biomolecules, such as specific metal ions that are bound to a
protein, affect the nuclei in their surrounding in various ways. One of these effects is the …
protein, affect the nuclei in their surrounding in various ways. One of these effects is the …
NMR spectroscopy of paramagnetic metalloproteins
This article deals with the solution structure determination of paramagnetic metalloproteins
by NMR spectroscopy. These proteins were believed not to be suitable for NMR …
by NMR spectroscopy. These proteins were believed not to be suitable for NMR …
On the use of different dielectric constants for computing individual and pairwise terms in Poisson− Boltzmann studies of protein ionization equilibrium
VH Teixeira, CA Cunha, M Machuqueiro… - The journal of …, 2005 - ACS Publications
Poisson− Boltzmann (PB) models are a fast and common tool for studying electrostatic
processes in proteins, particularly their ionization equilibrium (protonation and/or reduction) …
processes in proteins, particularly their ionization equilibrium (protonation and/or reduction) …
Hemes on a string: insights on the functional mechanisms of PgcA from Geobacter sulfurreducens
Microbial extracellular reduction of insoluble compounds requires soluble electron shuttles
that diffuse in the environment, freely diffusing cytochromes, or direct contact with cellular …
that diffuse in the environment, freely diffusing cytochromes, or direct contact with cellular …
A high‐resolution view of the coordination environment in a paramagnetic metalloprotein from its magnetic properties
Metalloproteins constitute a significant fraction of the proteome of all organisms and their
characterization is critical for both basic sciences and biomedical applications. A large …
characterization is critical for both basic sciences and biomedical applications. A large …
Molecular Dynamics at Constant pH and Reduction Potential: Application to Cytochrome c3
M Machuqueiro, AM Baptista - Journal of the American Chemical …, 2009 - ACS Publications
Here we present a new implementation and extension of the stochastic titration method
which makes it possible to perform MD simulations at constant pH and reduction potential …
which makes it possible to perform MD simulations at constant pH and reduction potential …
[HTML][HTML] Structural insights into the modulation of the redox properties of two Geobacter sulfurreducens homologous triheme cytochromes
The redox properties of a periplasmic triheme cytochrome, PpcB from Geobacter
sulfurreducens, were studied by NMR and visible spectroscopy. The structure of PpcB was …
sulfurreducens, were studied by NMR and visible spectroscopy. The structure of PpcB was …
[HTML][HTML] Protein Engineering of Electron Transfer Components from Electroactive Geobacter Bacteria
Electrogenic microorganisms possess unique redox biological features, being capable of
transferring electrons to the cell exterior and converting highly toxic compounds into …
transferring electrons to the cell exterior and converting highly toxic compounds into …
Thermodynamic Characterization of Triheme Cytochrome PpcA from Geobacter sulfurreducens: Evidence for a Role Played in e-/H+ Energy Transduction,
The facultative aerobic bacterium Geobacter sulfurreducens produces a small periplasmic c-
type triheme cytochrome with 71 residues (PpcA) under anaerobic growth conditions, which …
type triheme cytochrome with 71 residues (PpcA) under anaerobic growth conditions, which …
Studies of the reduction and protonation behavior of tetraheme cytochromes using atomic detail
VH Teixeira, CM Soares, AM Baptista - JBIC Journal of Biological …, 2002 - Springer
A comparative study of tetraheme cytochrome c 3 molecules from several species was
carried out using recently developed theoretical methods based on continuum electrostatics …
carried out using recently developed theoretical methods based on continuum electrostatics …