The reliability of the linear interaction energy (LIE) depends on the atomic charge model used to delineate the Coulomb interaction between the ligand and its environment. In this work, the polarized protein-specific charge (PPC) implementing a recently proposed fitting scheme has been examined in the LIE calculations of the binding affinities for avidin and β-secretase binding complexes. This ...

The main theme of this paper is to present novel controller, which is a genetic based fuzzy Logic controller, for interior permanent magnet synchronous motor drives with direct torque control. A radial basis function network has been used for online tuning of the genetic based fuzzy logic controller. Initially different operating conditions are obtained based on motor dynamics incorporating...

In this paper, we derive a new recovery procedure for the reconstruction of extended exponential sums form [Formula: see text], where frequency parameters text] are pairwise distinct. order to reconstruct y(t) employ finite set classical Fourier coefficients y with regard interval text]. For our method, 2N + 2 sufficient recover all y, denotes y(t). The is based on observation that terms posses...

Recently we have reported a new method of rational approximation the sinc function obtained by sampling and Fourier transforms. However, this requires trigonometric multiplier that originates from shifting property transform. In work show how to represent transform $f(t)$ in form ratio two polynomials without any multiplier. A MATLAB code showing algorithmic implementation proposed for is prese...

We obtain upper bounds for the fourth and higher moments of short exponential sums involving Fourier coefficients holomorphic cusp forms twisted by rational additive twists with small denominators. conjectured best possible bound in case moment.

The direct simulation Monte Carlo (DSMC) method is a stochastic approach to solve the Boltzmann equation and is built on various numerical schemes for transport, collision and sampling. This work aims to compare and contrast two popular O(N) DSMC collision schemes no-time-counter (NTC) and majorant collision frequency (MCF) with the goal of identifying the fundamental differences. MCF and NTC s...

The GAC-Scheme has become a popular general purpose algorithm for solving n-ary constraints, although it may scan an exponential number of supporting tuples. In this paper, we develop a major improvement of this scheme. When searching for a support, our new algorithm is able to skip over a number of tuples exponential in the arity of the constraint by exploiting knowledge about the current doma...