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Proteins are the most important biomolecules for living organisms. The understanding of protein structure, function, dynamics and transport is one of most challenging tasks in biological science. In the present work, persistent homology is,…

Biomolecules · Quantitative Biology 2014-12-10 Kelin Xia , Guo-Wei Wei

A representation of the genetic code as a six-dimensional Boolean hypercube is proposed. It is assumed here that this structure is the result of the hierarchical order of the interaction energies of the bases in codon-anticodon recognition.…

Soft Condensed Matter · Physics 2007-05-23 Miguel A. Jimenez-Montano , Carlos R. de la Mora-Basanez , Thorsten Poeschel

We review the development of thermodynamic protein hydropathic scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Darwinian evolution has organized each protein family…

Molecular Networks · Quantitative Biology 2021-05-27 J. C. Phillips

Intracellular protein patterns govern essential cellular functions by dynamically redistributing proteins between membrane-bound and cytosolic states, conserving their total numbers. This review presents a theoretical framework for…

Biological Physics · Physics 2025-12-16 Erwin Frey , Henrik Weyer

The Saccharomyces cerevisiae protein-protein interaction map, as well as many natural and man-made networks, shares the scale-free topology. The preferential attachment model was suggested as a generic network evolution model that yields…

Statistical Mechanics · Physics 2007-05-23 Eli Eisenberg , Erez Y. Levanon

Some natural proteins display recurrent structural patterns. Despite being highly similar at the tertiary structure level, repetitions within a single repeat protein can be extremely variable at the sequence level. We propose a mathematical…

Biomolecules · Quantitative Biology 2015-10-12 Pablo Turjanski , R. Gonzalo Parra , Rocío Espada , Verónica Becher , Diego U. Ferreiro

Protein sequence generation for engineering requires samples that are biophysically plausible and, when targeting a family/domain, remain recognizable members while exploring within-family diversity. Current discrete generative models…

Computational Engineering, Finance, and Science · Computer Science 2026-05-25 Langzhang Liang , Ming Yang , Yi Feng , Junfan Li , Shirui Pan , Yinghui Xu , Tianlei Ying , Yizhen Zheng , Zenglin Xu

Proteins are constructed from a limited alphabet of ~20 amino acids, yet the origins and selection of this specific alphabet are unresolved. One largely overlooked aspect is whether elemental composition constrains the range of viable…

Biomolecules · Quantitative Biology 2026-05-20 L. Felipe Benites , Louie Slocombe , Sara I. Walker

We propose a general method for predicting potentially good folders from a given number of amino acid sequences. Our approach is based on the calculation of the rate of convergence of each amino acid chain towards the native structure using…

Biological Physics · Physics 2013-02-07 Dmitry K. Gridnev , Pedro Ojeda-May , Martin E. Garcia

Here we review the development of protein scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Evolution has organized each protein family in different ways, but scaling…

Other Quantitative Biology · Quantitative Biology 2016-10-14 J. C. Phillips

The evolution processes of complex systems carry key information in the systems' functional properties. Applying machine learning algorithms, we demonstrate that the historical formation process of various networked complex systems can be…

Physics and Society · Physics 2024-03-25 Junya Wang , Yi-Jiao Zhang , Cong Xu , Jiaze Li , Jiachen Sun , Jiarong Xie , Ling Feng , Tianshou Zhou , Yanqing Hu

Natural protein sequences that self-assemble to form globular structures are compact with high packing densities in the folded states. It is known that proteins unfold upon addition of denaturants, adopting random coil structures. The…

Biomolecules · Quantitative Biology 2016-12-02 Himadri S. Samanta , Pavel I. Zhuravlev , Michael Hinczewski , Naoto Hori , Shaon Chakrabarti , D. Thirumalai

The aim of this work is to elucidate how physical principles of protein design are reflected in natural sequences that evolved in response to the thermal conditions of the environment. Using an exactly solvable lattice model, we design…

Biomolecules · Quantitative Biology 2015-06-26 Igor N. Berezovsky , Konstantin B. Zeldovich , Eugene I. Shakhnovich

Time dependence is a universal phenomenon in nature, and a variety of mathematical models in terms of dynamical systems have been developed to understand the time-dependent behavior of real-world problems. Originally constructed to analyze…

Algebraic Topology · Mathematics 2018-02-14 Zixuan Cang , Elizabeth Munch , Guo-Wei Wei

Proteins have regular tertiary structures but irregular amino acid sequences. This made it very difficult to decode the structural information in the protein sequences. Here we demonstrate that many small alpha protein domains have hidden…

Biomolecules · Quantitative Biology 2007-05-23 Ruizhen Xu , Yanzhao Huang , Mingfen Li , Hanlin Chen , Yi Xiao

Current-day genomes bear the mark of the evolutionary processes. One of the strongest indications is the sequence homology among families of proteins that perform similar biological functions in different species. The number of proteins in…

Biological Physics · Physics 2007-05-23 Joel S. Bader

Structural prediction of protein-protein interactions is important to understand the molecular basis of cellular interactions, but it still faces major challenges when significant conformational changes are present. We propose a generative…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Rujie Yin , Yang Shen

Models of protein energetics which neglect interactions between amino acids that are not adjacent in the native state, such as the Go model, encode or underlie many influential ideas on protein folding. Implicit in this simplification is a…

Biomolecules · Quantitative Biology 2009-10-08 Brian C. Gin , Juan P. Garrahan , Phillip L. Geissler

Making use of a simplified model for protein folding, it can be shown that conformations which are particularly stable when their energy is minimized with respect to amino acid sequence (in the sense that they display a large energy gap to…

Soft Condensed Matter · Physics 2007-05-23 R. A. Broglia , G. Tiana , H. E. Roman

The time-dependent relaxation of a dynamical system may exhibit a power-law behavior that is superimposed by log-periodic oscillations. Sornette [Phys. Rep. 297, 239 (1998)] showed that this behavior can be explained by a discrete scale…

Biological Physics · Physics 2023-11-21 Emanuel Dorbath , Adnan Gulzar , Gerhard Stock