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A complex network approach to protein folding is proposed. The graph object is the network of shortcut edges present in a native-state protein (SCN0). Although SCN0s are found via an intuitive message passing algorithm (S. Milgram,…

Molecular Networks · Quantitative Biology 2017-12-15 Susan Khor

Non-coding RNAs are ubiquitous, but the discovery of new RNA gene sequences far outpaces research on their structure and functional interactions. We mine the evolutionary sequence record to derive precise information about function and…

Biomolecules · Quantitative Biology 2016-04-22 Caleb Weinreb , Adam J. Riesselman , John B. Ingraham , Torsten Gross , Chris Sander , Debora S. Marks

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

The origin and organizing principles of the genetic code remain fundamental puzzles in life science. The vanishingly low probability of the natural codon-to-amino acid mapping arising by chance has spurred the hypothesis that its structure…

Other Quantitative Biology · Quantitative Biology 2025-10-14 Yudam Seo , Tsvi Tlusty , Junghyo Jo

Empirical substitution matrices represent the average tendencies of substitutions over various protein families by sacrificing gene-level resolution. We develop a codon-based model, in which mutational tendencies of codon, a genetic code,…

Populations and Evolution · Quantitative Biology 2011-08-31 Sanzo Miyazawa

For the vast majority of naturally occurring, small, single domain proteins folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation…

Biomolecules · Quantitative Biology 2007-07-09 R. D. M. Travasso , P. F. N. Faisca , M. M. Telo da Gama

In special coordinates (codon position--specific nucleotide frequencies) bacterial genomes form two straight lines in 9-dimensional space: one line for eubacterial genomes, another for archaeal genomes. All the 348 distinct bacterial…

Genomics · Quantitative Biology 2007-11-13 A. N. Gorban , A. Yu. Zinovyev

A protein's function depends critically on its conformational ensemble, a collection of energy weighted structures whose balance depends on temperature and environment. Though recent deep learning (DL) methods have substantially advanced…

Biomolecules · Quantitative Biology 2026-01-09 Myeongsang Lee , Lauren L. Porter

We discuss recent theoretical developments in the study of simple lattice models of proteins. Such models are designed to understand general features of protein structures and mechanism of folding. Among the topics covered are (i) the use…

Soft Condensed Matter · Physics 2007-05-23 D. Thirumalai , D. K. Klimov

The systematics of indices of physico-chemical properties of codons and amino acids across the genetic code are examined. Using a simple numerical labelling scheme for nucleic acid bases, data can be fitted as low-order polynomials of the 6…

Biological Physics · Physics 2009-11-05 J. D. Bashford , P. D. Jarvis

Folding properties of a two-dimensional toy protein model containing only two amino-acid types, hydrophobic and hydrophilic, respectively, are analyzed. An efficient Monte Carlo procedure is employed to ensure that the ground states are…

chem-ph · Physics 2016-08-31 Anders Irbäck , Carsten Peterson , Frank Potthast

Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…

Proteins populate a manifold in the high-dimensional sequence space whose geometrical structure guides their natural evolution. Leveraging recently-developed structure prediction tools based on transformer models, we first examine the…

Biomolecules · Quantitative Biology 2023-11-13 A. Zambon , R. Zecchina , G. Tiana

Protein secondary structure prediction is an important problem in bioinformatics. Inspired by the recent successes of deep neural networks, in this paper, we propose an end-to-end deep network that predicts protein secondary structures from…

Biomolecules · Quantitative Biology 2016-04-27 Zhen Li , Yizhou Yu

The length distribution of proteins measured in amino acids follows the CoHSI (Conservation of Hartley-Shannon Information) probability distribution. In previous papers we have verified various predictions of this using the Uniprot database…

Other Quantitative Biology · Quantitative Biology 2018-10-23 Les Hatton , Gregory Warr

Many native structures of proteins accomodate complex topological motifs such as knots, lassos, and other geometrical entanglements. How proteins can fold quickly even in the presence of such topological obstacles is a debated question in…

Soft Condensed Matter · Physics 2020-10-07 Federico Norbiato , Flavio Seno , Antonio Trovato , Marco Baiesi

Many cases of non-standard genetic codes are known in mitochondrial genomes. We carry out analysis of phylogeny and codon usage of organisms for which the complete mitochondrial genome is available, and we determine the most likely…

Populations and Evolution · Quantitative Biology 2007-07-17 Supratim Sengupta , Xiaoguang Yang , Paul G. Higgs

Proteins fold using a two-state or multi-state kinetic mechanisms, but up to now there isn't a first-principle model to explain this different behaviour. We exploit the network properties of protein structures by introducing novel…

Molecular Networks · Quantitative Biology 2015-12-04 Giulia Menichetti , Piero Fariselli , Daniel Remondini

The prediction of the three-dimensional native structure of proteins from the knowledge of their amino acid sequence, known as the protein folding problem, is one of the most important yet unsolved issues of modern science. Since the…

Biological Physics · Physics 2008-11-24 Pablo Echenique

It is shown that a small subset of modes which are likely to be involved in protein functional motions of large amplitude can be determined by retaining the most robust normal modes obtained using different protein models. This result…

Biomolecules · Quantitative Biology 2007-05-23 Samuel Nicolay , Yves-Henri Sanejouand