scholarly journals A Computational Scheme To Evaluate Hamaker Constants of Molecules with Practical Size and Anisotropy

2017 ◽  
Vol 13 (11) ◽  
pp. 5217-5230 ◽  
Author(s):  
Kenta Hongo ◽  
Ryo Maezono
2019 ◽  
Vol 63 (2) ◽  
pp. 145-151
Author(s):  
Neyman Yu.M. ◽  
◽  
Sugaipova L.S. ◽  

2019 ◽  
Vol 14 (2) ◽  
pp. 148-156
Author(s):  
Nighat Noureen ◽  
Sahar Fazal ◽  
Muhammad Abdul Qadir ◽  
Muhammad Tanvir Afzal

Background: Specific combinations of Histone Modifications (HMs) contributing towards histone code hypothesis lead to various biological functions. HMs combinations have been utilized by various studies to divide the genome into different regions. These study regions have been classified as chromatin states. Mostly Hidden Markov Model (HMM) based techniques have been utilized for this purpose. In case of chromatin studies, data from Next Generation Sequencing (NGS) platforms is being used. Chromatin states based on histone modification combinatorics are annotated by mapping them to functional regions of the genome. The number of states being predicted so far by the HMM tools have been justified biologically till now. Objective: The present study aimed at providing a computational scheme to identify the underlying hidden states in the data under consideration. </P><P> Methods: We proposed a computational scheme HCVS based on hierarchical clustering and visualization strategy in order to achieve the objective of study. Results: We tested our proposed scheme on a real data set of nine cell types comprising of nine chromatin marks. The approach successfully identified the state numbers for various possibilities. The results have been compared with one of the existing models as well which showed quite good correlation. Conclusion: The HCVS model not only helps in deciding the optimal state numbers for a particular data but it also justifies the results biologically thereby correlating the computational and biological aspects.


1988 ◽  
Vol 110 (4) ◽  
pp. 472-481 ◽  
Author(s):  
D. C. Sun

A model of the metal V-belt drive (MBD), considering its detailed multiple-band and metal-block structure, and the ratio-change effect during its operation, is constructed and analyzed. A computational scheme is devised that adapts the analysis to the computation of the MBD’s performance for any specified drive-schedule. General performance characteristics of the MBD and an example illustrating its response to a given drive-schedule are presented. The use of the analysis and the computational scheme in the design of the MBD and in finding the optimum operating conditions is discussed.


10.37236/3386 ◽  
2015 ◽  
Vol 22 (2) ◽  
Author(s):  
Marie Albenque ◽  
Dominique Poulalhon

This article presents a unified bijective scheme between planar maps and blossoming trees, where a blossoming tree is defined as a spanning tree of the map decorated with some dangling half-edges that enable to reconstruct its faces. Our method generalizes a previous construction of Bernardi by loosening its conditions of application so as to include annular maps, that is maps embedded in the plane with a root face different from the outer face.The bijective construction presented here relies deeply on the theory of $\alpha$-orientations introduced by Felsner, and in particular on the existence of minimal and accessible orientations. Since most of the families of maps can be characterized by such orientations, our generic bijective method is proved to capture as special cases many previously known bijections involving blossoming trees: for example Eulerian maps, $m$-Eulerian maps, non-separable maps and simple triangulations and quadrangulations of a $k$-gon. Moreover, it also permits to obtain new bijective constructions for bipolar orientations and $d$-angulations of girth $d$ of a $k$-gon.As for applications, each specialization of the construction translates into enumerative by-products, either via a closed formula or via a recursive computational scheme. Besides, for every family of maps described in the paper, the construction can be implemented in linear time. It yields thus an effective way to encode or sample planar maps.In a recent work, Bernardi and Fusy introduced another unified bijective scheme; we adopt here a different strategy which allows us to capture different bijections. These two approaches should be seen as two complementary ways of unifying bijections between planar maps and decorated trees.


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