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The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

Given the stochastic nature of gene expression, genetically identical cells exposed to the same environmental inputs will produce different outputs. This heterogeneity has been hypothesized to have consequences for how cells are able to…

Molecular Networks · Quantitative Biology 2020-08-19 Manuel Razo-Mejia , Sarah Marzen , Griffin Chure , Rachel Taubman , Muir Morrison , Rob Phillips

In the theoretical modelling of a physical system a crucial step consists in the identification of those degrees of freedom that enable a synthetic, yet informative representation of it. While in some cases this selection can be carried out…

Statistical Mechanics · Physics 2020-06-30 Marco Giulini , Roberto Menichetti , M. Scott Shell , Raffaello Potestio

The choice of structural resolution is a fundamental aspect of protein modelling, determining the balance between descriptive power and interpretability. Although atomistic simulations provide maximal detail, much of this information is…

Biomolecules · Quantitative Biology 2025-10-23 Margherita Mele , Raffaele Fiorentini , Thomas Tarenzi , Giovanni Mattiotti , Raffaello Potestio

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

Beyond the genetic code, there is another layer of information encoded as chemical modifications on histone proteins positioned along the DNA. Maintaining these modifications is crucial for survival and identity of cells. How the…

Genomics · Quantitative Biology 2020-05-15 Nithya Ramakrishnan , Sibi Raj B Pillai , Ranjith Padinhateeri

The structure and function of a protein are determined by its amino acid sequence. While random mutations change a protein's sequence, evolutionary forces shape its structural fold and biological activity. Studies have shown that neutral…

Biomolecules · Quantitative Biology 2024-11-15 Pranav Kantroo , Günter P. Wagner , Benjamin B. Machta

We investigate the rate-length scaling law of protein folding, a key undetermined scaling law in the analytical theory of protein folding. We demonstrate that chain length is a dominant factor determining folding times, and that the…

Biological Physics · Physics 2014-03-05 Thomas J. Lane , Vijay S. Pande

The yearly global production of data is growing exponentially, outpacing the capacity of existing storage media, such as tape and disk, and surpassing our ability to store it. DNA storage - the representation of arbitrary information as…

Quantitative Methods · Quantitative Biology 2023-10-04 Thomas Heinis , Roman Sokolovskii , Jamie J. Alnasir

In previous works [physics/0204035, physics/0404052, physics/0509126] a procedure was described for dividing the $3 \times N$-dimensional conformational space of a molecular system into a number of discrete cells, this partition allowed the…

Computational Physics · Physics 2008-12-14 Jacques Gabarro-Arpa

Understanding how monomeric proteins fold under in vitro conditions is crucial to describing their functions in the cellular context. Significant advances both in theory and experiments have resulted in a conceptual framework for describing…

Soft Condensed Matter · Physics 2010-07-20 D. Thirumalai , Edward P. O'Brien , Greg Morrison , Changbong Hyeon

A computational method is developed to work on an inverse equilibrium problem with an interest towards applications with protein folding. In general, we are given a set of equilibrium confgiurations and want to derive the most probable…

Biological Physics · Physics 2007-05-23 John P. Donohue

As an example of topic where biology and physics meet, we present the issue of protein folding and stability, and the development of thermodynamics-based bioinformatics tools that predict the stability and thermal resistance of proteins and…

Biomolecules · Quantitative Biology 2016-03-15 Fabrizio Pucci , Marianne Rooman

External information propagates in the cell mainly through signaling cascades and transcriptional activation, allowing it to react to a wide spectrum of environmental changes. High throughput experiments identify numerous molecular…

Molecular Networks · Quantitative Biology 2011-01-25 M. Bailly-Bechet , C. Borgs , A. Braunstein , J. Chayes , A. Dagkessamanskaia , J. -M. François , R. Zecchina

Natural protein molecules are exceptional polymers. Encoded in apparently random strings of amino-acids, these objects perform clear physical tasks that are rare to find by simple chance. Accurate folding, specific binding, powerful…

Biomolecules · Quantitative Biology 2017-10-09 Diego U. Ferreiro , Elizabeth A. Komives , Peter G. Wolynes

A method for encoding information in DNA sequences is described. The method is based on the precision-resolution framework, and is aimed to work in conjunction with a recently suggested terminator-free template independent DNA synthesis…

Information Theory · Computer Science 2020-05-14 Siddharth Jain , Farzad Farnoud , Moshe Schwartz , Jehoshua Bruck

The dynamics of folding of proteins is studied by means of a phenomenological master equation. The energy distribution is taken as a truncated exponential for the misfolded states plus a native state sitting below the continuum. The…

Soft Condensed Matter · Physics 2007-05-23 Estelle Pitard , Henri Orland

Relation of genome sizes to organisms complexity is still described rather equivocally. Neither the number of genes (G-value), nor the total amount of DNA (C-value) correlates consistently with phenotype complexity. Using information theory…

Genomics · Quantitative Biology 2007-05-23 Dmitri V. Parkhomchuk

Despite the recognized importance of the multi-scale spatio-temporal organization of proteins, most computational tools can only access a limited spectrum of time and spatial scales, thereby ignoring the effects on protein behavior of the…

Biomolecules · Quantitative Biology 2011-09-21 Antoine Delmotte , Edward W Tate , Sophia N Yaliraki , Mauricio Barahona