Results 91 to 100 of about 21,602 (293)
Redox Entropy of Plastocyanin: Developing a Microscopic View of Mesoscopic Polar Solvation [PDF]
, 2007 We report applications of analytical formalisms and Molecular Dynamics (MD) simulations to the calculation of redox entropy of plastocyanin metalloprotein in aqueous solution. The goal of our analysis is to establish critical components of the theory required to describe polar solvation at the mesoscopic scale.
arxiv +1 more source
Mercury and selenium binding biomolecules in terrestrial mammals (Cervus elaphus and Sus scrofa) from a mercury exposed area [PDF]
, 2017 Acknowledgements The authors are grateful to Junta de Comunidades de Castilla-La Mancha (PCC-05-004-2, PAI06-0094, PCI-08-0096, PEII09-0032-5329) and the Ministerio de Economía y Competitividad (CTQ2013-48411-P) for financial support. M.J.
Fariñas, N. Rodríguez +5 more
core +1 more source
Endopeptidase Regulation as a Novel Function of the Zur-Dependent Zinc Starvation Response
mBio, 2019 The cell wall is a strong, yet flexible, meshwork of peptidoglycan (PG) that gives a bacterium structural integrity. To accommodate a growing cell, the wall is remodeled by both PG synthesis and degradation.
Shannon G. Murphy +6 more
doaj +1 more source
Fast calculation of two-electron-repulsion integrals: a numerical approach [PDF]
arXiv, 2016 An alternative methodology to evaluate two-electron-repulsion integrals based on numerical approximation is proposed. Computational chemistry has branched into two major fields with methodologies based on quantum mechanics and classical force fields. However, there are significant shadowy areas not covered by any of the available methods. Many relevant
arxiv
NOE-less protein structures-an alternative paradigm in Highly Paramagnetic Systems [PDF]
arXiv, 2020 The current paradigm for protein structure determination by NMR spectroscopy has thus far been based on collecting distance restrains between pairs of nuclei in the form of nuclear Overhauser enhancements (NOE). These, have in some circumstances been supplemented with other information sources such as paramagnetic relaxation enhancements or residual ...
arxiv
Magnetic Cluster Excitations [PDF]
, 2012 Magnetic clusters, i.e., assemblies of a finite number (between two or three and several hundred) of interacting spin centers which are magnetically decoupled from their environment, can be found in many materials ranging from inorganic compounds, magnetic molecules, artificial metal structures formed on surfaces to metalloproteins.
arxiv +1 more source
Breaking Boundaries: Chronic Diseases and the Frontiers of Immune Microenvironments
Med Research, EarlyView.ABSTRACT The immune microenvironment includes immune cells, cytokines, extracellular matrix, vesicles, etc. The interactions between these components form a unique local immune microecology. Although immunity serves as the defense against external pathogens, aberrant immune activation often contributes to disease development.
Guoqing Li +13 more
wiley +1 more source
The Functional Form of Angular Forces around Transition Metal Ions in Biomolecules
, 2000 A method for generating angular forces around $\sigma$-bonded transition metal ions is generalized to treat $\pi$-bonded configurations. The theoretical approach is based on an analysis of a ligand-field Hamiltonian based on the moments of the electron ...
A.E. Carlsson +21 more
core +3 more sources
Metalloprotein Crystallography: More than a Structure [PDF]
, 2015 Metal ions and metallocofactors play important roles in a broad range of biochemical reactions. Accordingly, it has been estimated that as much as 25–50% of the proteome uses transition metal ions to carry out a variety of essential functions.
Bowman, Sarah E. J. +2 more
core +1 more source
ChemistryOpen, EarlyView.The synthesis of new pyrrolo[3',4':3,4]pyrrolo[1,2‐a][1,10]phenanthroline derivatives is performed starting from [3+2] cycloaddition of in situ generated ylides, followed by cycloadducts oxidation and other transformations. The structures of the unexpected intermediates and final compounds are obtained from nuclear magnetic resonance and single‐crystal
Cristina M. Al Matarneh +8 more
wiley +1 more source