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We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…

Biomolecules · Quantitative Biology 2007-06-13 Ivan C. Rankenburg , Veit Elser

Since some years, non-overlapping sets of strings (also called cross-bifix-free sets) have had an increasing interest in the frame of the researches about Theory of Codes. Recently some non-overlapping sets of strings with variable length…

Combinatorics · Mathematics 2020-06-11 Elena Barcucci , Antonio Bernini , Renzo Pinzani

DNA rearrangement processes recombine gene segments that are organized on the chromosome in a variety of ways. The segments can overlap, interleave or one may be a subsegment of another. We use directed graphs to represent segment…

Machine Learning · Statistics 2018-01-30 Mustafa Hajij , Nataša Jonoska , Denys Kukushkin , Masahico Saito

Gene expression is a complex and quantitative trait that is influenced by both genetic and non-genetic regulators including environmental factors. Evaluating the contribution of environment to gene expression regulation and identifying…

Genomics · Quantitative Biology 2019-06-27 Ke Tang , Wei Zhang

Gene finding is the task of identifying the locations of coding sequences within the vast amount of genetic code contained in the genome. With an ever increasing quantity of raw genome sequences, gene finding is an important avenue towards…

Genomics · Quantitative Biology 2025-05-07 Frederikke I. Marin , Dennis Pultz , Wouter Boomsma

New analyses of the organization of the genetic code system together with their relation to the two classes of aminoacyl-tRNA synthetases are reported in this work. A closer inspection revealed how the enzymes and the 20 amino acids of the…

Biomolecules · Quantitative Biology 2007-05-23 Chi Ming Yang

Motivation: Thanks to the recent advances in structural biology, nowadays three-dimensional structures of various proteins are solved on a routine basis. A large portion of these contain structural repetitions or internal symmetries. To…

Quantitative Methods · Quantitative Biology 2018-10-30 Guillaume Pagès , Sergei Grudinin

The problem of optimizing over random structures emerges in many areas of science and engineering, ranging from statistical physics to machine learning and artificial intelligence. For many such structures finding optimal solutions by means…

Computational Complexity · Computer Science 2022-10-12 David Gamarnik

A fundamental task in developmental biology is to identify the mechanisms which drive morphogenesis. In many cases, pattern formation is driven by the positional information determined by both the gradient of maternal factors and hard-wired…

Molecular Networks · Quantitative Biology 2007-05-23 L. Diambra , Luciano da Fontoura Costa

Complex systems with tightly coadapted parts frequently appear in living systems and are difficult to account for through Darwinian evolution, that is random variation and natural selection, if the constituent parts are independently coded…

Adaptation and Self-Organizing Systems · Physics 2007-05-23 John F. McGowan , Ph. D

Information theoretic analysis of genetic languages indicates that the naturally occurring 20 amino acids and the triplet genetic code arose by duplication of 10 amino acids of class-II and a doublet genetic code having codons NNY and…

Genomics · Quantitative Biology 2007-05-23 Apoorva Patel

Repeat proteins are made with tandem copies of similar amino acid stretches that fold into elongated architectures. Due to their symmetry, these proteins constitute excellent model systems to investigate how evolution relates to structure,…

Biomolecules · Quantitative Biology 2022-10-12 Ezequiel A. Galpern , Jacopo Marchi , Thierry Mora , Aleksandra M. Walczak , Diego U. Ferreiro

Phylogenetic trees (i.e. evolutionary trees, additive trees or X-trees) play a key role in the processes of modeling and representing species evolution. Genome evolution of a given group of species is usually modeled by a species…

Populations and Evolution · Quantitative Biology 2023-01-03 Vladimir Makarenkov , Gayane S. Barseghyan , Nadia Tahiri

In the context of reconstructing phylogenetic networks from a collection of phylogenetic trees, several characterisations and subsequently algorithms have been established to reconstruct a phylogenetic network that collectively embeds all…

Combinatorics · Mathematics 2023-08-21 Janosch Döcker , Simone Linz , Charles Semple

The sequence of a protein is not only constrained by its physical and biochemical properties under current selection, but also by features of its past evolutionary history. Understanding the extent and the form that these evolutionary…

Populations and Evolution · Quantitative Biology 2015-06-22 Mathieu Hemery , Olivier Rivoire

Networks exhibiting "accelerating" growth have total link numbers growing faster than linearly with network size and can exhibit transitions from stationary to nonstationary statistics and from random to scale-free to regular statistics at…

Molecular Networks · Quantitative Biology 2017-12-22 M. J. Gagen , J. S. Mattick

We present a scenario for the origin of biological coding. In this context, coding is a semiotic relationship between chemical information stored in one location that links to chemical information stored in a separate location. Coding…

Biomolecules · Quantitative Biology 2022-08-03 Stuart Kauffman , Niles Lehman

Due to recent breakthroughs in state-of-the-art DNA sequencing technology, genomics data sets have become ubiquitous. The emergence of large-scale data sets provides great opportunities for better understanding of genomics, especially gene…

Genomics · Quantitative Biology 2020-12-18 Wei Cheng , Ghulam Murtaza , Aaron Wang

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Superposition, the ability of neural networks to represent more features than neurons, is increasingly seen as key to the efficiency of large models. This paper investigates the theoretical foundations of computing in superposition,…

Computational Complexity · Computer Science 2026-02-27 Micah Adler , Nir Shavit
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