Results 21 to 30 of about 18,999 (260)
The stability constants of copper complexes with isonicotinamide and the ligand protonation constants in a range of compositions of a water-ethanol solvent of 0.0 – 0.7 molar fractions of ethanol at 298.2 K and an ionic strength of the medium 0.25 ...
N.A. Chesnokova +2 more
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Constant pH Molecular Dynamics with Proton Tautomerism [PDF]
The current article describes a new two-dimensional lambda-dynamics method to include proton tautomerism in continuous constant pH molecular dynamics (CPHMD) simulations. The two-dimensional lambda-dynamics framework is used to devise a tautomeric state titration model for the CPHMD simulations involving carboxyl and histidine residues.
Khandogin, Jana, Brooks, Charles L.
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Structural insights into an engineered feruloyl esterase with improved MHET degrading properties
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa +5 more
wiley +1 more source
Preliminary note. Protonation constants of p-substituted benzyli-denepyruvic acids
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C. Melios
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The physical dimensions and shape of bacterial cells define the surface area available to acquire nutrients and the volume available for synthesizing proteins and DNA. Here, we use computational systems biology to decode the importance of cell geometry as a major determinant of prokaryotic phenotype, including growth rate and metabolic efficiency. This
Ross P. Carlson +6 more
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Electron transfer between complexes III and IV in S. cerevisiae mitochondrial membranes
Mitochondrial oxidative phosphorylation in S. cerevisiae mitoplasts is limited by complex IV catalytic capacity, rather than two‐dimensional cytochrome c diffusion. At physiological cytochrome c : supercomplex ratios at salinity equivalent to that of 20 mm monovalent salt, activity is maximized, indicating that this low ionic strength accurately mimics
Ana Paula Lobez +2 more
wiley +1 more source
Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
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Protonation equilibria of L-proline and L-valine in varying compositions (0.0-60.0% v/v) of 1, 2-Propanediol-water mixtures were investigated pH-metrically.
P. Bhushanavathi +3 more
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The mycobacterial CIII‐CIV respiratory supercomplex is an obligate assembly, encompassing several subunits of unknown functions. We have characterized the intracellular subunit AscF, and show that it is unlikely to be a sensor for metals or nucleotides, but is required for growth on nonfermentable energy sources, and likely works as an adapter for ...
Eni Rile +8 more
wiley +1 more source
Citation: 'protonation constant' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.P04909 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
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