2013-05-24 04:15 |
Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U
/ Cole, Daniel J ; O'Regan, David D ; Payne, Mike C
Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed calculations on the heme binding site and a significant proportion of the protein environment (more than 1000 atoms) using linear-scaling density functional theory and the DFT+U method to correct for self-interaction errors associated with localized 3d states. [...]
arXiv:1305.5532.-
2013 - 15 p.
- Published in : J. Phys. Chem. Lett.: 3 (2012) , pp. 1448-1452
External link: Preprint
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2013-05-24 04:15 |
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2013-05-24 04:15 |
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2013-05-24 04:15 |
Emerging Technologies in Mass Spectrometry Imaging
/ Jungmann, Julia H ; Heeren, Ron M A
Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more detail in the image dimension (spatial resolution) and in the spectral dimension (mass resolution and accuracy), preferably combined in one instrument. [...]
arXiv:1305.5433.-
2013
External link: Preprint
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2013-05-24 04:14 |
Nuclear $\beta^+$/EC decays in covariant density functional theory and the impact of isoscalar proton-neutron pairing
/ Niu, Z M ; Niu, Y F ; Liu, Q ; Liang, H Z ; Guo, J Y
Self-consistent proton-neutron quasiparticle random phase approximation based on the spherical nonlinear point-coupling relativistic Hartree-Bogoliubov theory is established and used to investigate the $\beta^+$/EC-decay half-lives of neutron-deficient Ar, Ca, Ti, Fe, Ni, Zn, Cd, and Sn isotopes. The isoscalar proton-neutron pairing is found to play an important role in reducing the decay half-lives, which is consistent with the same mechanism in the $\beta$ decays of neutron-rich nuclei. [...]
arXiv:1305.5387.-
2013 - 12 p.
External link: Preprint
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2013-05-24 04:14 |
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2013-05-24 04:11 |
Fractal multi-scale nature of solar/stellar magnetic field
/ Abramenko, Valentina I
An abstract mathematical concept of fractal organization of certain complex objects received significant attention in astrophysics during last decades. The concept evolved into a broad field including multi-fractality and intermittency, percolation theory, self-organized criticality, theory of catastrophes, etc. [...]
arXiv:1305.5282.-
2013 - 16 p.
- Published in : A.G.Kosovichev (2012)
External link: Preprint
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2013-05-23 11:44 |
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2013-05-23 11:21 |
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2013-05-23 04:14 |
Lognormal Infection Times of Online Information Spread
/ Doerr, Christian ; Blenn, Norbert ; Van Mieghem, Piet
The infection times of individuals in online information spread such as the inter-arrival time of Twitter messages or the propagation time of news stories on a social media site can be explained through a convolution of lognormally distributed observation and reaction times of the individual participants. Experimental measurements support the lognormal shape of the individual contributing processes, and have resemblance to previously reported lognormal distributions of human behavior and contagious processes..
arXiv:1305.5235.-
2013
External link: Preprint
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