GGA Autoinhibition Revisited

How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals.

There have been many comparisons of computational methods applied to ground states, but studies of organic reactions usually require calculations on transition states, and these provide a different test of the methods. We present calculations of the geometries of nineteen covalent-bond forming transition states using HF and twelve different functionals, including GGA, hybrid-GGA and hybrid meta...

Formation enthalpies by mixing GGA and GGA + U calculations

Autoinhibition Produced by Serotonin

29 We studied autoinhibition produced immediately after synaptic serotonin 30 release in identified leech Retzius neurons, cultured singly or forming synapses 31 onto pressure-sensitive neurons. Cultured Retzius neurons are isopotential, 32 thus allowing accurate recordings of synaptic events using intracellular 33 microelectrodes. The effects of autoinhibition on distant neuropilar presynaptic...

QUICKSELECT Revisited

We give an overview of the running time analysis of the random divide-and-conquer algorithm FIND or QUICKSELECT. The results concern moments, distribution of FIND’s running time, the limiting distribution, a stochastic bound and the key: a stochastic fixed point equation.

Autoinhibition of c-Abl

Despite years of investigation, the molecular mechanism responsible for regulation of the c-Abl tyrosine kinase has remained elusive. We now report inhibition of the catalytic activity of purified c-Abl in vitro, demonstrating that regulation is an intrinsic property of the molecule. We show that the interaction of the N-terminal 80 residues with the rest of the protein mediates autoregulation....