Kinetic Energy Research Paper - something is
Solution-state NMR Abstract p53 is frequently mutated in human cancers. Its levels are tightly regulated by the E3 ubiquitin ligase MDM2. We focus on the effects of phosphorylation at positions Thr18 and Ser20 including their substitution with phosphomimetics. Conformational propensities of the isolated peptides were investigated using in silico methods and experimentally by circular dichroism and 1H-NMR in aqueous solution. Both experimental and computational analyses indicate that the p53 peptides are mainly disordered in aqueous solution, with evidence of nascent helix around the SerLeu25 region. Kinetic Energy Research PaperJournal Description: In the quest for accurate approximations of the noninteracting kinetic energy functional as a functional of the electronic density, two different paths are usually employed: semilocal functionals based on the derivatives of the electronic density mainly the gradient and the Laplacian or nonlocal functionals based on the linear response of the homogeneous electron gas, ie, the Lindhard function.
While the former are defined in real space but fail to reproduce the Lindhard function, the latter cannot be expressed exactly in real space being defined only in the reciprocal spaceso applications to finite systems are complicated. We show and … Publisher:.]
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