Kernel energy method: Application to insulin

The Kernel Energy Method: application to a tRNA.

The Kernel Energy Method (KEM) may be used to calculate quantum mechanical molecular energy by the use of several model chemistries. Simplification is obtained by mathematically breaking a large molecule into smaller parts, called kernels. The full molecule is reassembled from calculations carried out on the kernels. KEM is as yet untested for RNA, and such a test is the purpose here. The basic...

Kernel energy method applied to vesicular stomatitis virus nucleoprotein.

The kernel energy method (KEM) is applied to the vesicular stomatitis virus (VSV) nucleoprotein (PDB ID code 2QVJ). The calculations employ atomic coordinates from the crystal structure at 2.8-A resolution, except for the hydrogen atoms, whose positions were modeled by using the computer program HYPERCHEM. The calculated KEM ab initio limited basis Hartree-Fock energy for the full 33,175 atom m...

Protoribosome by quantum kernel energy method.

Experimental evidence suggests the existence of an RNA molecular prebiotic entity, called by us the "protoribosome," which may have evolved in the RNA world before evolution of the genetic code and proteins. This vestige of the RNA world, which possesses all of the capabilities required for peptide bond formation, seems to be still functioning in the heart of all of the contemporary ribosome. W...

Kernel Group Method of Data Handling: Application to Regression Problems

Application of the kernel method to the inverse geosounding problem

Determining the layered structure of the earth demands the solution of a variety of inverse problems; in the case of electromagnetic soundings at low induction numbers, the problem is linear, for the measurements may be represented as a linear functional of the electrical conductivity distribution. In this paper, an application of the support vector (SV) regression technique to the inversion of...