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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…

生物物理 · 物理学 2008-11-24 Pablo Echenique

In spite of decades of research, much remains to be discovered about folding: the detailed structure of the initial (unfolded) state, vestigial folding instructions remaining only in the unfolded state, the interaction of the molecule with…

生物物理 · 物理学 2018-11-26 Walter A. Simmons

The evolution of structure in biology is driven by accretion and change. Accretion brings together disparate parts to form bigger wholes. Change provides opportunities for growth and innovation. Here we review patterns and processes that…

其他定量生物学 · 定量生物学 2019-01-16 Derek Caetano-Anollés , Kelsey Caetano-Anollés , Gustavo Caetano-Anollés

Atomic packing is an important metric for characterizing protein structures, as it significantly influences various features including the stability, the rate of evolution and the functional roles of proteins. Packing in protein structures…

生物大分子 · 定量生物学 2025-05-27 Sotirios Touliopoulos , Nicholas M. Glykos

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

生物大分子 · 定量生物学 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Variation and selection are the core principles of Darwinian evolution, yet quantitatively relating the diversity of a population to its capacity to respond to selection is challenging. Here, we examine this problem at a molecular level in…

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

Complex networks encountered in biology are often characterized by significant structural diversity. Whether it be differences in the three-dimensional structure of allosteric proteins, or the variation among the micro-scale structures of…

物理与社会 · 物理学 2020-08-19 Jason W. Rocks , Andrea J. Liu , Eleni Katifori

Evolutionary dynamics is often viewed as a subtle process of change accumulation that causes a divergence among organisms and their genomes. However, this interpretation is an inheritance of a gradualistic view that has been challenged at…

种群与进化 · 定量生物学 2018-07-27 Jacobo Aguirre , Pablo Catalán , José A. Cuesta , Susanna Manrubia

Neither of the two prevalent theories, namely thermodynamic stability and kinetic stability, provides a comprehensive understanding of protein folding. The thermodynamic theory is misleading because it assumes that free energy is the…

生物物理 · 物理学 2013-07-22 Ji Xu , Mengzhi Han , Ying Ren , Jinghai Li

We argue that protein native state structures reside in a novel "phase" of matter which confers on proteins their many amazing characteristics. This phase arises from the common features of all globular proteins and is characterized by a…

生物大分子 · 定量生物学 2012-04-13 Jayanth R. Banavar , Trinh X. Hoang , Flavio Seno , Antonio Trovato , Amos Maritan

There is an intrinsic relationship between the molecular evolution in primordial period and the properties of genomes and proteomes of contemporary species. The genomic data may help us understand the driving force of evolution of life at…

基因组学 · 定量生物学 2009-11-25 Dirson Jian Li , Shengli Zhang

How typical elements that shape organisms, such as protein secondary structures, have evolved, or how evolutionarily susceptible/resistant they are to environmental changes, are significant issues in evolutionary biology, structural…

生物物理 · 物理学 2025-03-18 Tomoei Takahashi , George Chikenji , Kei Tokita , Yoshiyuki Kabashima

The network paradigm is increasingly used to describe the topology and dynamics of complex systems. Here we review the results of the topological analysis of protein structures as molecular networks describing their small-world character,…

生物大分子 · 定量生物学 2007-06-10 Csaba Bode , Istvan A. Kovacs , Mate S. Szalay , Robin Palotai , Tamas Korcsmaros , Peter Csermely

It has been conjectured that evolution exerted pressure to preserve amino acids bearing thermodynamic, kinetic, and functional roles. In this letter we show that the physical requirement to maintain protein stability gives rise to a…

统计力学 · 物理学 2007-05-23 Nikolay V. Dokholyan , Leonid A. Mirny , Eugene I. Shakhnovich

Proteins need to selectively interact with specific targets among a multitude of similar molecules in the cell. But despite a firm physical understanding of binding interactions, we lack a general theory of how proteins evolve high…

生物大分子 · 定量生物学 2022-09-28 John M McBride , Jean-Pierre Eckmann , Tsvi Tlusty

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.…

生物物理 · 物理学 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

The recent discovery of universal principles underlying many complex networks occurring across a wide range of length scales in the biological world has spurred physicists in trying to understand such features using techniques from…

生物物理 · 物理学 2015-05-13 Sitabhra Sinha

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery.…

Frameshift mutations in protein-coding DNA sequences produce a drastic change in the resulting protein sequence, which prevents classic protein alignment methods from revealing the proteins' common origin. Moreover, when a large number of…

定量方法 · 定量生物学 2011-01-18 Marta L. Gîrdea , Laurent Noé , Gregory Kucherov