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While all the information required for the folding of a protein is contained in its amino acid sequence, one has not yet learned how to extract this information to predict the three--dimensional, biologically active, native conformation of…

Biomolecules · Quantitative Biology 2009-11-10 R. A. Broglia , G. Tiana

Protein folding cooperativity is defined by the nature of the finite-size thermodynamic transition exhibited upon folding: two-state transitions show a free energy barrier between the folded and unfolded ensembles, while downhill folding is…

Biomolecules · Quantitative Biology 2017-08-23 Tristan Bereau , Michael Bachmann , Markus Deserno

In the protein sequence space, natural proteins form clusters of families which are characterized by their unique native folds whereas the great majority of random polypeptides are neither clustered nor foldable to unique structures. Since…

Biomolecules · Quantitative Biology 2018-02-06 Akira R. Kinjo

Proteases regulate various aspects of the life cycle in all organisms by cleaving specific peptide bonds. Their action is so central for biochemical processes that at least 2% of any known genome encodes for proteolytic enzymes. Here we…

Biomolecules · Quantitative Biology 2013-06-07 Vincenzo Carnevale , Simone Raugei , Cristian Micheletti , Paolo Carloni

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Introduction: While the origin and evolution of proteins remain mysterious, advances in evolutionary genomics and systems biology are facilitating the historical exploration of the structure, function and organization of proteins and…

Quantitative Methods · Quantitative Biology 2026-02-20 Gustavo Caetano-Anollés , M. Fayez Aziz , Fizza Mughal , Derek Caetano-Anollés

Biological molecular machines are bifunctional enzymes that catalyze two processes: one donating free energy and the other accepting it. Recent studies show that most protein enzymes have rich stochastic dynamics of transitions between the…

Biological Physics · Physics 2023-02-02 Michal Kurzynski , Przemyslaw Chelminiak

Cells accomplish diverse functions using the same molecular building blocks, from setting up cytoplasmic flows to generating mechanical forces. In particular, transitions between these non-equilibrium states are triggered by regulating the…

Soft Condensed Matter · Physics 2022-01-03 Bibi Najma , Minu Varghese , Lev Tsidilkovski , Linnea Lemma , Aparna Baskaran , Guillaume Duclos

Protein evolution underpins life, and understanding its behavior as a system is of great importance. However, our current models of protein evolution are arguably too simplistic to allow quantitative interpretation and prediction of…

Natural protein sequences somehow encode the structural forms that these molecules adopt. Recent developments in structure-prediction are agnostic to the mechanisms by which proteins fold and represent them as static objects. However, the…

Biomolecules · Quantitative Biology 2025-05-26 Ezequiel A. Galpern , Federico Caamaño , Diego U. Ferreiro

Determining the different conformational states of a protein and the transition paths between them is key to fully understanding the relationship between biomolecular structure and function. This can be accomplished by sampling protein…

Biological Physics · Physics 2021-03-24 Venkata K. Ramaswamy , Chris G. Willcocks , Matteo T. Degiacomi

Chaperonins are biological nanomachines that help newly translated proteins to fold by rescuing them from kinetically trapped misfolded states. Protein folding assistance by the chaperonin machinery is obligatory in vivo for a subset of…

Biomolecules · Quantitative Biology 2022-11-29 George Stan , George H. Lorimer , D. Thirumalai

Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and…

Biological Physics · Physics 2015-05-20 Daniel Celis-Garza , Hamid Teimouri , Anatoly B. Kolomeisky

Novel numerical techniques, validated by an analysis of barnase and chymotrypsin inhibitor, are used to elucidate the paramount role played by the geometry of the protein backbone in steering the folding to the correct native state. It is…

Statistical Mechanics · Physics 2009-10-31 Cristian Micheletti , Jayanth R. Banavar , Amos Maritan , Flavio Seno

Protein pattern formation is essential for the spatial organization of many intracellular processes like cell division, flagellum positioning, and chemotaxis. A prominent example of intracellular patterns are the oscillatory pole-to-pole…

Biological Physics · Physics 2018-02-21 Erwin Frey , Jacob Halatek , Simon Kretschmer , Petra Schwille

The ribosome is a macromolecular complex which is responsible for protein synthesis in all living cells according to their transcribed genetic information. Using X-ray crystallography and, more recently, cryo-electron microscopy (cryo-EM),…

Biological Physics · Physics 2017-11-17 Lars V. Bock , Michal H. Kolář , Helmut Grubmüller

The protein folding is regarded as a quantum transition between torsion states on polypeptide chain. The deduction of the folding rate formula in our previous studies is reviewed. The rate formula is generalized to the case of frequency…

Biomolecules · Quantitative Biology 2010-08-24 Liaofu Luo

The genetic blueprint for the essential functions of life is encoded in DNA, which is translated into proteins -- the engines driving most of our metabolic processes. Recent advancements in genome sequencing have unveiled a vast diversity…

Neural and Evolutionary Computing · Computer Science 2024-06-12 James S. L. Browning , Daniel R. Tauritz , John Beckmann

Many cell functions are accomplished thanks to intracellular transport mechanisms of macromolecules along filaments. Molecular motors such as dynein or kinesin are proteins playing a primary role in these processes. The behavior of such…

Chaotic Dynamics · Physics 2010-12-21 Donatello Materassi , Subhrajit Roychowdhury , Murti V. Salapaka

With the help of lattice Monte Carlo modelling of heteropolymers, we show that the necessary condition for a protein to fold on short call is to proceed through partially folded intermediates. These elementary structures are formed at an…

Condensed Matter · Physics 2007-05-23 R. A. Broglia , G. Tiana