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Protein design is a technique to engineer proteins by modifying their sequence to obtain novel functionalities. In this method, amino acids in the sequence are permutated to find the low energy states satisfying the configuration. However,…

Quantitative Methods · Quantitative Biology 2023-05-10 Mohammad Hassan Khatami , Udson C. Mendes , Nathan Wiebe , Philip M. Kim

Although several synonymous codons can encode the same aminoacid, this symmetry is generally broken in natural genetic systems. In this article, we show that the symmetry breaking can result from selective pressures due to the violation of…

adap-org · Physics 2008-02-03 S. Vera , H. Waelbroeck

An approach for approximately calculating the number of genes in a genome is presented, which takes into account the average protein length expected for the species. A number of virus, bacterial and eukaryotic genomes are scrutinized.…

Genomics · Quantitative Biology 2015-02-13 N. S. Santos-Magalhaes , H. M. de Oliveira

The evolution in coding DNA sequences brings new flexibility and freedom to the codon words, even as the underlying nucleotides get significantly ordered. These curious contra-rules of gene organisation are observed from the distribution of…

Biological Physics · Physics 2007-05-23 Sujay Chattopadhyay , William A. Kanner , Jayprokas Chakrabarti

The native state structures of globular proteins are stable and well-packed indicating that self-interactions are favored over protein-solvent interactions under folding conditions. We use this as a guiding principle to derive the geometry…

Biomolecules · Quantitative Biology 2021-07-14 Tatjana Škrbić , Amos Maritan , Achille Giacometti , George D. Rose , Jayanth R. Banavar

Proteins are intricate molecular machines whose complexity arises from the heterogeneity of the amino acid building blocks and their dynamic network of many-body interactions. These nanomachines gain function when put in the context of a…

Biomolecules · Quantitative Biology 2023-12-14 John M. McBride , Tsvi Tlusty

Comprehensive knowledge of protein-ligand interactions should provide a useful basis for annotating protein functions, studying protein evolution, engineering enzymatic activity, and designing drugs. To investigate the diversity and…

Biomolecules · Quantitative Biology 2009-02-11 Akira R. Kinjo , Haruki Nakamura

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

We review the recent progress in computational approaches to protein design which builds on advances in statistical-mechanical protein folding theory. In particular, we evaluate the degeneracy of the protein code (i.e. how many sequences…

Condensed Matter · Physics 2007-05-23 E. I. Shakhnovich

A plausible architecture of an ancient genetic code is derived from an extended base triplet vector space over the Galois field of the extended base alphabet {D, G, A, U, C}, where the letter D represents one or more hypothetical bases with…

Genomics · Quantitative Biology 2008-09-23 Robersy Sanchez , Ricardo Grau

The Automated Protein Structure Analysis (APSA) method is used for the classification of supersecondary structures. Basis for the classification is the encoding of three-dimensional (3D) residue conformations into a 16-letter code (3D-1D…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs):…

Quantitative Methods · Quantitative Biology 2026-03-03 Michael Sun , Weize Yuan , Gang Liu , Wojciech Matusik , Marinka Zitnik

Given the amino acid sequence of a protein, researchers often infer its structure and function by finding homologous, or evolutionarily-related, proteins of known structure and function. Since structure is typically more conserved than…

Computational Engineering, Finance, and Science · Computer Science 2015-03-23 Noah M. Daniels

Convolutional codes are constructed, designed and analysed using row and/or block structures of unit algebraic schemes. Infinite series of such codes and of codes with specific properties are derived. Properties are shown algebraically and…

Rings and Algebras · Mathematics 2018-04-04 Ted Hurley

In this study, the distributions of protein structure classes (or folding types) of experimentally determined structures from a legacy dataset and a comprehensive database (SCOP) are modeled precisely with geometric constructs such as…

Biomolecules · Quantitative Biology 2025-10-21 Boryeu Mao

Two genomes over the same set of gene families form a canonical pair when each of them has exactly one gene from each family. Different distances of canonical genomes can be derived from a structure called breakpoint graph, which represents…

Data Structures and Algorithms · Computer Science 2023-04-04 Marilia D. V. Braga , Leonie R. Brockmann , Katharina Klerx , Jens Stoye

Transcription factor proteins bind specific DNA sequences to control the expression of genes. They contain DNA binding domains which belong to several super-families, each with a specific mechanism of DNA binding. The total number of…

Biomolecules · Quantitative Biology 2010-07-27 Shalev Itzkovitz , Tsvi Tlusty , Uri Alon

Proteins are composed of chains of amino acids that fold into complex three-dimensional structures. Several key features, such as the radius of gyration, fraction of core amino acids $f_{\rm core}$, packing fraction $\langle \phi\rangle$ of…

Soft Condensed Matter · Physics 2025-11-07 Jack A. Logan , Jacob Sumner , Alex T. Grigas , Mark D. Shattuck , Corey S. OHern

In the course of evolution, proteins undergo important changes in their amino acid sequences, while their three-dimensional folded structure and their biological function remain remarkably conserved. Thanks to modern sequencing techniques,…

Biomolecules · Quantitative Biology 2019-10-07 Simona Cocco , Christoph Feinauer , Matteo Figliuzzi , Remi Monasson , Martin Weigt

A hypothesis of the evolution of the genetic code is proposed, the leading mechanism of which is the nucleotide spontaneous damage leading to AT-enrichment of the genome. The hypothesis accounts for stability of the genetic code towards…

Populations and Evolution · Quantitative Biology 2007-10-03 Denis A. Semenov