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What are the molecular mechanisms that dictate protein-protein binding stability and whether those are related to the ones behind protein fold stability are still largely open questions. Indeed, despite many past efforts, we still lack…

Biological Physics · Physics 2023-11-28 Fausta Desantis , Mattia Miotto , Lorenzo Di Rienzo , Edoardo Milanetti , Giancarlo Ruocco

The 16-22 amino acid fragment of the beta-amyloid peptide associated with the Alzheimer's disease, Abeta, is capable of forming amyloid fibrils. Here we study the aggregation mechanism of Abeta(16-22) peptides by unbiased thermodynamic…

Biomolecules · Quantitative Biology 2009-11-10 Giorgio Favrin , Anders Irbäck , Sandipan Mohanty

The beautiful structures of single and multi-domain proteins are clearly ordered in some fashion but cannot be readily classified using group theory methods that are successfully used to describe periodic crystals. For this reason, protein…

Soft Condensed Matter · Physics 2021-03-02 Debayan Chakraborty , Mauro Lorenzo Mugnai , D. Thirumalai

Cell adhesion complexes (CACs), which are activated by ligand binding, play key roles in many cellular functions ranging from cell cycle regulation to mediation of cell extracellular matrix adhesion. Inspired by single molecule pulling…

Biomolecules · Quantitative Biology 2018-04-04 Ngo Min Toan , D. Thirumalai

Protein structures in nature often exhibit a high degree of regularity (secondary structures, tertiary symmetries, etc.) absent in random compact conformations. We demonstrate in a simple lattice model of protein folding that structural…

Condensed Matter · Physics 2009-10-28 Hao Li , Robert Helling , Chao Tang , Ned Wingreen

Natural hard composites like human bone possess a combination of strength and toughness that exceeds that of their constituents and of many engineered composites. This augmentation is attributed to their complex hierarchical structure,…

Although buckling is a prime route to achieve functionalization and synthesis of single colloids, buckling of colloidal structures---made up of multiple colloids---remains poorly studied. Here, we investigate the buckling of the simplest…

Soft Condensed Matter · Physics 2019-10-02 Simon Stuij , Jan Maarten van Doorn , Thomas Kodger , Joris Sprakel , Corentin Coulais , Peter Schall

This work examines the conformational ensemble involved in $\beta$-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent…

Chemical Physics · Physics 2023-06-16 Albert Ardevol , Gareth A. Tribello , Michele Ceriotti , Michele Parrinello

Mechanical unfolding of RNA structures, ranging from hairpins to ribozymes, using laser optical tweezer (LOT) experiments have begun to reveal the features of the energy landscape that cannot be easily explored using conventional…

Biomolecules · Quantitative Biology 2009-11-13 Changbong Hyeon , D. Thirumalai

Drug resistance to HIV-1 Protease involves accumulation of multiple mutations in the protein. Here we investigate the role of these mutations by using molecular dynamics simulations which exploit the influence of the native-state topology…

Statistical Mechanics · Physics 2007-05-23 Fabio Cecconi , Cristian Micheletti , Paolo Carloni , Amos Maritan

The stability of a $\beta$-sheeted conformation and its transition into a random coil are studied with a 2D lattice biopolymer model. At low temperature and low external force, the polymer folds back and forth on itself and forms a…

Soft Condensed Matter · Physics 2007-05-23 Haijun Zhou

Protein aggregation in cell membrane is vital for the majority of biological functions. Recent experimental results suggest that transmembrane domains of proteins such as $\alpha$-helices and $\beta$-sheets have different structural…

Biological Physics · Physics 2016-01-20 Hamidreza Jafarinia , Atefeh Khoshnood , Mir Abbas Jalali

What can cells gain by using disordered, rather than folded, proteins in the architecture of their skeleton? Disordered proteins take multiple co-existing conformations, and often contain segments which act as random-walk-shaped polymers.…

Soft Condensed Matter · Physics 2016-10-05 Micha Kornreich , Eti Malka-Gibor , Ben Zuker , Adi Laser-Azogui , Roy Beck

Actomyosin contractility is essential for biological force generation, and is well understood in highly organized structures such as striated muscle. Additionally, actomyosin bundles devoid of this organization are known to contract both in…

Biological Physics · Physics 2012-04-03 Martin Lenz , Margaret L. Gardel , Aaron R. Dinner

The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

The initiation of directional cell motion requires symmetry breaking that can happen both with or without external stimuli. During cell crawling, forces generated by the cytoskeleton and their transmission through mechanosensitive adhesions…

Cell Behavior · Quantitative Biology 2023-06-02 Yuzhu Chen , David Saintillan , Padmini Rangamani

Self-assembly of proteins is a biological phenomenon which gives rise to spontaneous formation of amyloid fibrils or polymers. The starting point of this phase, called nucleation exhibits an important variability among replicated…

Biomolecules · Quantitative Biology 2016-03-22 Marie Doumic , Sarah Eugene , Philippe Robert

Recent single-molecule force measurements on single-domain proteins have highlighted a three-state folding mechanism where a stabilized intermediate state (I) is observed on the folding trajectory between the stretched state and the native…

Biological Physics · Physics 2008-10-08 Ivan Junier , Felix Ritort

We model analytically the dynamics of a cytoskeletal filament in a motility assay. The filament is described as rigid rod free to slide in two dimensions. The motor proteins consist of polymeric tails tethered to the plane and modeled as…

Statistical Mechanics · Physics 2015-03-19 Shiladitya Banerjee , M. Cristina Marchetti , Kristian Müller-Nedebock

We show that in experimental atomic force microscopy studies of the lifetime distribution of mechanically stressed folded proteins the effects of externally applied fluctuations can not be distinguished from those of internally present…

Biological Physics · Physics 2011-10-21 Maxime Clusel , Eric I. Corwin