Two oligomers, each containing 3 l-lysine residues, were used as model molecules for the simulation of the beta-sheet conformation of varepsilon-polylysine (varepsilon-PLL) chains. Their C terminals were capped with ethylamine and N terminals were capped with alpha-l-aminobutanoic acid, respectively. The calculations were carried out with the hybrid two-level ONOIM (B3LYP/6-31G:PM3) computation...

A quantile summary is a data structure that approximates to ε-relative error the order statistics of a much larger underlying dataset. In this paper we develop a randomized online quantile summary for the cash register data input model and comparison data domain model that uses O( 1 ε log 1 ε ) words of memory. This improves upon the previous best upper bound of O( 1 ε log 1 ε ) by Agarwal et. ...

‎In this paper‎, ‎we propose a feasible interior-point method for‎ ‎convex quadratic programming over symmetric cones‎. ‎The proposed algorithm relaxes the‎ ‎accuracy requirements in the solution of the Newton equation system‎, ‎by using an inexact Newton direction‎. ‎Furthermore‎, ‎we obtain an‎ ‎acceptable level of error in the inexact algorithm on convex‎ ‎quadratic symmetric cone programmin...

Let G $G$ be a simple graph with maximum degree Δ ( ) ${\rm{\Delta }}(G)$ and chromatic index χ ′ $\chi ^{\prime} (G)$ . A classical result of Vizing shows that either = (G)={\rm{\Delta or + 1 }}(G)+1$ is called edge- }}$ -critical if connected, − e (G-e)={\rm{\Delta for every ∈ E $e\in E(G)$ an n $n$ -vertex graph. conjectured α $\alpha , the independence number at most 2 $\frac{n}{2}$ The cur...