Molecular dynamics (MD) is a valuable tool for the investigation of functional elements in biomolecules, providing information on dynamic properties and processes. Previous work by our group has characterized static geometric properties of the two MHC α-helices comprising the peptide binding region recognized by T cells. We build upon this work and used several spline models to approximate the ...

‎this paper obtains the exact solutions of the wave equation as a second-order partial differential equation (pde)‎. ‎we are going to calculate polynomial and non-polynomial exact solutions by using lie point symmetry‎. ‎we demonstrate the generation of such polynomial through the medium of the group theoretical properties of the equation‎. ‎a generalized procedure for polynomial solution is pr...

the omega polynomial(x) was recently proposed by diudea, based on the length of stripsin given graph g. the sadhana polynomial has been defined to evaluate the sadhana index ofa molecular graph. the pi polynomial is another molecular descriptor. in this paper wecompute these three polynomials for some infinite classes of nanostructures.

in this paper, we show how certain metabelian groups can be found within polynomial evaluation groupoids. we show that every finite abelian group can beobtained as a polynomial evaluation groupoid.

Using the Molecular Dynamics technique the energy E vs the misorientation 9 has been calculated for the CSL [OOl] twist grain boundaries in Cu. Two potentials have been used; the Morse potential and a spline potential constructed by Englert and Tompa for Cu. In each case the low and high angle grain boundary regions have been clearly distinguished by using the relation E= Eo9(A-he), valid for l...

Motivated by a problem in complex dynamics, we examine the block structure of the natural action of iterated monodromy groups on the tree of preimages of a generic point. We show that in many cases, including when the polynomial has prime power degree, there are no large blocks other than those arising naturally from the tree structure. However, using a method of construction based on real grap...

in this paper, stabilization conditions and controller design for a class of nonlinear systems are proposed. the proposed method is based on the nonlinear feedback, quadratic lyapunov function and heuristic slack matrices definition. these slack matrices in null products are derived using the properties of the system dynamics. based on the lyapunov stability theorem and sum of squares (sos) dec...

Motivated by the ‘subgraphs world’ view of the ferromagnetic Ising model, we develop a general approach to studying mixing times of Glauber dynamics based on subset expansion expressions for a class of graph polynomials. With a canonical paths argument, we demonstrate that the chains defined within this framework mix rapidly upon graphs of bounded tree-width. This extends known results on rapid...

We find an explicit expression of the Tutte polynomial of an $n$-fan. We also find a formula of the Tutte polynomial of an $n$-wheel in terms of the Tutte polynomial of $n$-fans. Finally, we give an alternative expression of the Tutte polynomial of an $n$-wheel and then prove the explicit formula for the Tutte polynomial of an $n$-wheel.

Holomorphic renormalization plays an important role in complex polynomial dynamics. We consider invariant continua that are not polynomial-like Julia sets because of extra critical points. However, under certain assumptions, these can be identified with lower degree polynomials up to a topological conjugacy. Thus we extend the concept renormalization.