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We present a general framework to study the thermodynamic denaturation of double-stranded DNA under superhelical stress. We report calculations of position- and size-dependent opening probabilities for bubbles along the sequence. Our…

Biomolecules · Quantitative Biology 2013-05-29 Daniel Jost , Asif Zubair , Ralf Everaers

A basic principle in crystal structure determination is that there should be proper distances between adjacent atoms. Therefore, detection of atom bumping is of fundamental significance in structure determination, especially in the direct…

Materials Science · Physics 2017-09-06 Yu Liu

Two new algorithms are described for matching two dimensional coordinate lists of point sources that are signifcantly faster than previous methods. By matching rarely occurring triangles (or more complex shapes) in the two lists, and by…

Astrophysics · Physics 2009-11-13 V. Tabur

After crossing an initial barrier to break the first base-pair (bp) in double-stranded DNA, the disruption of further bps is characterized by free energies between less than one to a few kT. This causes the opening of intermittent…

Statistical Mechanics · Physics 2015-06-25 Tobias Ambjornsson , Suman K Banik , Michael A Lomholt , Ralf Metzler

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Motivation: The comparison of diverse genomic datasets is fundamental to understanding genome biology. Researchers must explore many large datasets of genome intervals (e.g., genes, sequence alignments) to place their experimental results…

Genomics · Quantitative Biology 2012-08-20 Ryan M. Layer , Kevin Skadron , Gabriel Robins , Ira M. Hall , Aaron R. Quinlan

Motivation: Gene regulatory interactions are of fundamental importance to various biological functions and processes. However, only a few previous computational studies have claimed success in revealing genome-wide regulatory landscapes…

Molecular Networks · Quantitative Biology 2017-02-09 Shupeng Gui , Rui Chen , Liang Wu , Ji Liu , Hongyu Miao

Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…

Computational Physics · Physics 2025-07-25 Elyar Tourani , Brian J. Edwards , Bamin Khomami

In this work we describe a fast and stable algorithm for the computation of the orthogonal moments of an image. Indeed, orthogonal moments are characterized by a high discriminative power, but some of their possible formulations are…

Numerical Analysis · Mathematics 2021-09-21 C. Di Ruberto , L. Putzu , G. Rodriguez

We propose a fast algorithm for evaluating the moments of Bingham distribution. The calculation is done by piecewise rational approximation, where interpolation and Gaussian integrals are utilized. Numerical test shows that the algorithm…

Numerical Analysis · Mathematics 2017-11-23 Yixiang Luo , Jie Xu , Pingwen Zhang

The maximal clique problem, to find the maximally sized clique in a given graph, is classically an NP-complete computational problem, which has potential applications ranging from electrical engineering, computational chemistry,…

Quantum Physics · Physics 2018-04-18 Weng-Long Chang , Qi Yu , Zhaokai Li , Jiahui Chen , Xinhua Peng , Mang Feng

We developed a low-energy model that can be used at any time to describe the dynamics of DNA bubbles at temperatures below the melting point. The Schr\"odinger equation associated with this problem is solved in imaginary time with a quantum…

Biological Physics · Physics 2025-10-17 Juan D. García-Muñoz , A. Contreras-Astorga , L. M. Nieto

Background: The computation of the statistical properties of motif occurrences has an obviously relevant practical application: for example, patterns that are significantly over- or under-represented in the genome are interesting candidates…

Genomics · Quantitative Biology 2021-11-01 Paolo Ribeca , Emanuele Raineri

Recent years have seen deep neural networks (DNNs) becoming wider and deeper to achieve better performance in many applications of AI. Such DNNs however require huge amounts of memory to store weights and intermediate results (e.g.,…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-27 Taro Sekiyama , Takashi Imamichi , Haruki Imai , Rudy Raymond

We present a new approach for solving (minimum disagreement) correlation clustering that results in sublinear algorithms with highly efficient time and space complexity for this problem. In particular, we obtain the following algorithms for…

Data Structures and Algorithms · Computer Science 2021-09-30 Sepehr Assadi , Chen Wang

The DNA molecule is modeled by a parabola embedded chain with long-range interactions between twisted base pair dipoles. A mechanism for bubble generation is presented and investigated in two different configurations. Using random normally…

Pattern Formation and Solitons · Physics 2007-05-23 Peter V. Larsen , Peter L. Christiansen , Ole Bang , Juan F. R. Archilla , Yuri B. Gaididei

A distributed algorithm performs local computations on pieces of input and communicates the results through given communication links. When processing a massive graph in a distributed algorithm, local outputs must be configured as a…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-12-06 Fan Chung , Olivia Simpson

The local opening of DNA is an intriguing phenomenon from a statistical physics point of view, but is also essential for its biological function. For instance, the transcription and replication of our genetic code can not take place without…

Biological Physics · Physics 2009-11-13 Titus S. van Erp , Santiago Cuesta-Lopez , Michel Peyrard

In high-dimensional generalized linear models, it is crucial to identify a sparse model that adequately accounts for response variation. Although the best subset section has been widely regarded as the Holy Grail of problems of this type,…

Machine Learning · Statistics 2023-08-02 Junxian Zhu , Jin Zhu , Borui Tang , Xuanyu Chen , Hongmei Lin , Xueqin Wang

Recognition and binding of specific sites on DNA by proteins is central for many cellular functions such as transcription, replication, and recombination. In the process of recognition, a protein rapidly searches for its specific site on a…

Biomolecules · Quantitative Biology 2007-05-23 Michael Slutsky , Leonid A. Mirny