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Proteins are an important class of biomolecules that serve as essential building blocks of the cells. Their three-dimensional structures are responsible for their functions. In this thesis we have investigated the protein structures using a…

Molecular Networks · Quantitative Biology 2007-11-19 Ganesh Bagler

Protein-DNA interactions are critical for the successful functioning of all natural systems. The key role in these interactions is played by processes of protein search for specific sites on DNA. Although it has been studied for many years,…

Subcellular Processes · Quantitative Biology 2018-08-08 Alexey A. Shvets , Maria P. Kochugaeva , Anatoly B. Kolomeisky

This paper introduces a variational formulation of natural selection, paying special attention to the nature of "things" and the way that different "kinds" of "things" are individuated from - and influence - each other. We use the Bayesian…

Populations and Evolution · Quantitative Biology 2023-07-05 Karl Friston , Daniel Ari Friedman , Axel Constant , V. Bleu Knight , Thomas Parr , John O. Campbell

We present a simple model of protein folding dynamics that captures key qualitative elements recently seen in all-atom simulations. The goals of this theory are to serve as a simple formalism for gaining deeper insight into the physical…

Biological Physics · Physics 2015-05-19 Vijay S. Pande

Enzymes are on the front lines of evolution. All living organisms rely on highly efficient, specific enzymes for growth, sustenance, and reproduction; and many diseases are a consequence of a mutation on an enzyme that affects its catalytic…

Molecular Networks · Quantitative Biology 2009-01-07 Nilou Ataie

Protein crystallization in vivo provides some fascinating examples of biological self-assembly. Here, we provide a selective survey to show the diversity of functions for which protein crystals are used, and the physical properties of the…

Biomolecules · Quantitative Biology 2007-05-23 Jonathan P. K. Doye , Wilson C. K. Poon

In this paper we will review various aspects of the biology of prions and focus on what is currently known about the mammalian PrP prion. Also we briefly describe the prions of yeast and other fungi. Prions are infectious proteins behaving…

Biomolecules · Quantitative Biology 2011-06-20 Veronica Ines Cacace

Genomes evolve as modules. In prokaryotes (and some eukaryotes), genetic material can be transferred between species and integrated into the genome via homologous or illegitimate recombination. There is little reason to imagine that the…

Genomics · Quantitative Biology 2008-01-29 Cheong Xin Chan , Robert G. Beiko , Aaron E. Darling , Mark A. Ragan

The ability to computationally generate novel yet physically foldable protein structures could lead to new biological discoveries and new treatments targeting yet incurable diseases. Despite recent advances in protein structure prediction,…

Biomolecules · Quantitative Biology 2022-11-28 Kevin E. Wu , Kevin K. Yang , Rianne van den Berg , James Y. Zou , Alex X. Lu , Ava P. Amini

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

In this paper we show that a dynamical description of the protein folding process provides an effective representation of equilibrium properties and it allows for a direct investigation of the mechanisms ruling the approach towards the…

Statistical Mechanics · Physics 2007-05-23 Alessandro Torcini , Roberto Livi , Antonio Politi

Proteins form a very important class of polymers. In spite of major advances in the understanding of polymer science, the protein problem has remained largely unsolved. Here, we show that a polymer chain viewed as a tube not only captures…

Biological Physics · Physics 2007-05-23 J. R. Banavar , A. Flammini , D. Marenduzzo , A. Maritan , A. Trovato

We present a statistical mechanics treatment of the stability of globular proteins which takes explicitly into account the coupling between the protein and water degrees of freedom. This allows us to describe both the cold and the warm…

Condensed Matter · Physics 2009-10-30 Alex Hansen , Mogens H. Jensen , Kim Sneppen , Giovanni Zocchi

An accurate estimation of the Protein Space size, in light of the factors that govern it, is a long-standing problem and of paramount importance in evolutionary biology, since it determines the nature of protein evolvability. A simple…

Populations and Evolution · Quantitative Biology 2020-08-27 Jorge A. Vila

The ability of a protein to recognise multiple independent target conformations was demonstrated in [1]. Here we consider the recognition of correlated configurations, which we apply to funnel design for a single conformation. The maximum…

Soft Condensed Matter · Physics 2007-05-23 Robin C Ball , Thomas M A Fink

Natively unfolded proteins exist as an ensemble of flexible conformations lacking a well defined tertiary structure along a large portion of their polypeptide chain. Despite the absence of a stable configuration, they are involved in…

Genomics · Quantitative Biology 2008-07-14 Antonio Deiana , Andrea Giansanti

This paper proposes a new mathematical approach to characterize native protein structures based on the discrete differential geometry of tetrahedron tiles. In the approach, local structure of proteins is classified into finite types…

Biomolecules · Quantitative Biology 2007-05-23 Naoto Morikawa

Proteins are biomolecules of life. They fold into a great variety of three-dimensional (3D) shapes. Underlying these folding patterns are many recurrent structural fragments or building blocks (analogous to `LEGO bricks'). This paper…

Quantitative Methods · Quantitative Biology 2013-10-08 Arun S. Konagurthu , Arthur M. Lesk , David Abramson , Peter J. Stuckey , Lloyd Allison

Recent experimental and theoretical approaches have attempted to quantify the physical organization (compaction and geometry) of the bacterial chromosome with its complement of proteins (the nucleoid). The genomic DNA exists in a complex…

We develop a path-based approach to continuous-time random walks on networks with arbitrarily weighted edges. We describe an efficient numerical algorithm for calculating statistical properties of the stochastic path ensemble. After…

Populations and Evolution · Quantitative Biology 2014-08-19 Michael Manhart , Alexandre V. Morozov
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