A generalized-ensemble technique, multicanonical sampling, is used to study the folding of a 34-residue human parathyroid hormone fragment. An all-atom model of the peptide is employed and the protein-solvent interactions are approximated by an implicit solvent. Our results demonstrate that generalized-ensemble simulations are well suited to sample low-energy structures of such large polypeptid...

Aiming at the compensation problem of random time-delay in networked control system, a new network time-delay compensation method based on improved fast implicit generalized predictive control (GPC) is proposed. The buffer is established respectively including the forward output, feedback input of controller and the input of actuator, the network induced time-delay is compensated, and it will a...

It is known that the single machine preemptive scheduling problem of minimizing total completion time with release date and deadline constraints is NPhard. Du and Leung solved some special cases by the generalized Baker’s algorithm and the generalized Smith’s algorithm in O(n) time. In this paper we give an O(n) algorithm for the special case where the processing times and deadlines are agreeab...

We propose a generalized Newton method for solving the system of nonlinear equations with linear complementarity constraints in the implicit or semi-implicit time-stepping scheme for differential linear complementarity systems (DLCS). We choose a specific solution from the solution set of the linear complementarity constraints to define a locally Lipschitz continuous right-hand-side function in...

Implicit associations of the self to concepts like "calm" have been shown to be weaker in persons with social anxiety than in non-anxious healthy controls. However, other implicit self associations, such as those to acceptance or rejection, have been less studied in social anxiety, and none of this work has been conducted with clinical samples. Furthermore, the importance of depression in these...

Network motifs play an important role in the qualitative analysis and quantitative characterization of networks. The feed-forward loop is a semantically important and statistically highly significant motif. In this paper, we extend the definition of the feed-forward loop to subgraphs of arbitrary size. To avoid the complexity of path enumeration, we define generalized feed-forward loops as pair...

A leader of a tree T on [n] is a vertex which has no smaller descendants in T . Gessel and Seo showed that ∑ T ∈Tn u(# of leaders in T )c(degree of 1 in T ) = uPn−1(1, u, cu), which is a generalization of Cayley’s formula, where Tn is the set of trees on [n] and Pn(a, b, c)= c n−1 ∏ i=1 ( ia + (n− i)b+ c. Using a variation of the Prüfer code which is called a RP-code, we give a simple bijective...

The Raney numbers Rp,r(k) are a two-parameter generalization of the Catalan numbers that were introduced by Raney in his investigation of functional composition patterns. We give a new combinatorial interpretation for the Raney numbers in terms of planar embeddings of certain collections of trees, a construction that recovers the usual interpretation of the p-Catalan numbers in terms of p-ary t...

The Goulden–Jackson cluster method is a powerful tool for obtaining generating functions for counting words in a free monoid by occurrences of a set of subwords. We introduce a generalization of the cluster method for monoid networks, which generalize the combinatorial framework of free monoids. As a sample application of the generalized cluster method, we compute bivariate and multivariate gen...