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In this study, we present a comprehensive exploration of formation of different phases in lipid molecules using a coarse-grained implicit solvent model, where each lipid molecule is represented as a rigid, three-bead rod-like structure. Our…

Soft Condensed Matter · Physics 2023-12-13 Biplab Bawali , Alokmay Datta , Jayashree Saha

Neurodegenerative diseases are driven by the accumulation of protein aggregates in the brain of affected individuals. The aggregation behaviour in vitro is well understood and driven by the equilibration of a super-saturated protein…

Biomolecules · Quantitative Biology 2025-11-25 Matthew W. Cotton , Alain Goriely , David Klenerman , Georg Meisl

Lipid membranes, the barrier defining living cells and many of their sub-compartments, bind to a wide variety of nano- and micro-meter sized objects. In the presence of strong adhesive forces, membranes can strongly deform and wrap the…

Single-molecule pulling experiments on unstructured proteins linked to neurodegenerative diseases have measured rupture forces comparable to those for stable folded proteins. To investigate the structural mechanisms of this unexpected force…

Biomolecules · Quantitative Biology 2013-06-19 S. Æ. Jónsson , S. Mitternacht , A. Irbäck

The use of amyloid-beta (A$\beta$) clearance to support regulatory approvals of drugs in Alzheimer's disease (AD) remains controversial. We evaluate A$\beta$ as a potential trial-level surrogate endpoint for clinical function in AD using a…

Blebs are balloon-shaped membrane protrusions that form during many physiological processes. Using computer simulation of a particle-based model for self-assembled lipid bilayers coupled to an elastic meshwork, we investigated the phase…

Biological Physics · Physics 2015-05-30 Eric J. Spangler , Cameron W. Harvey , Joel D. Revalee , P. B. Sunil Kumar , Mohamed Laradji

Membrane bending is an extensively studied problem from both modeling and experimental perspectives because of the wide implications of curvature generation in cell biology. Many of the curvature generating aspects in membranes can be…

Soft Condensed Matter · Physics 2021-07-21 Arijit Mahapatra , David Saintillan , Padmini Rangamani

Lipid bilayers forming biological membranes are known to behave as viscous 2D fluids on submicrometer scales; usually they contain a large number of active protein inclusions. Recently, it has been shown [Proc. Nat. Acad. Sci. USA 112,…

Soft Condensed Matter · Physics 2016-08-31 Yuki Koyano , Hiroyuki Kitahata , Alexander S. Mikhailov

Cholesterol plays an essential role in biological membranes and is crucial for maintaining their stability and functionality. It is necessary for a variety of membranes, including planar bilayers, liposomes, curved bilayers, nanodiscs, and…

Biomolecules · Quantitative Biology 2025-04-09 Ehsaneh Khodadadi , Ehsan Khodadadi , Parth Chaturvedi , Mahmoud Moradi

Cellular membranes are a heterogeneous mix of lipids, proteins and small molecules. Special groupings of saturated lipids and cholesterol form a liquid-ordered phase, known as `lipid rafts,' serving as platforms for signaling, trafficking…

Quantitative Methods · Quantitative Biology 2015-05-13 Tristan S. Ursell , William S. Klug , Rob Phillips

Alzheimer's disease (AD) is a prominent, worldwide, age-related neurodegenerative disease that currently has no systemic treatment. Strong evidence suggests that permeable amyloid-beta peptide (Abeta) oligomers, astrogliosis and reactive…

Neurons and Cognition · Quantitative Biology 2023-06-23 Hina Shaheen , Roderick Melnik , The Alzheimer's Disease Neuroimaging Initiative

A significant part of the proteome is composed of intrinsically-disordered proteins (IDPs). These proteins do not fold into a well-defined structure and behave like ordinary polymers. In this work we consider IDPs which have the tendency to…

Biological Physics · Physics 2018-03-14 Dino Osmanovic , Yitzhak Rabin

Health concerns associated with the advent of nanotechnologies have risen sharply when it was found that particles of nanoscopic dimensions reach the cell lumina. Plasma and organelle lipid membranes, which are exposed to both the incoming…

Biomolecular condensates composed of intrinsically disordered proteins (IDPs) are vital for proper cellular function, and their dysfunction is associated with diseases including neurodegeneration and cancer. Despite their biological…

Soft Condensed Matter · Physics 2025-02-21 Luke K. Davis , Andrew J. Baldwin , Philip Pearce

Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…

Soft Condensed Matter · Physics 2025-11-04 Yannick Witzky , Friederike Schmid , Arash Nikoubashman

Bayesian network models are finding success in characterizing enzyme-catalyzed reactions, slow conformational changes, predicting enzyme inhibition, and genomics. In this work, we apply them to statistical modeling of peptides by…

Applications · Statistics 2018-10-09 Rainier Barrett , Shaoyi Jiang , Andrew D White

The adaptive and innate branches of the vertebrate immune system work in close collaboration to protect organisms from harmful pathogens. As an organism ages its immune system undergoes immunosenescence, characterized by declined…

Tissues and Organs · Quantitative Biology 2020-08-28 Eric W. Jones , Jiming Sheng , Jean M. Carlson , Shenshen Wang

The Protein Data Bank (PDB) contains more than 135 000 entries today. From these, relatively few amyloid structures can be identified, since amyloids are insoluble in water. Therefore, mostly solid state NMR-recorded amyloid structures are…

Biomolecules · Quantitative Biology 2018-05-28 Kristof Takacs , Balint Varga , Vince Grolmusz

Biological membranes are known to form various structural motifs, from lipid bilayers to tubular filaments and networks facilitating e.g. adhesion and cell-cell communication. To understand the biophysical processes underpinning lipid-lipid…

Soft Condensed Matter · Physics 2025-12-30 David Regan , Paola Borri , Wolfgang Langbein

Short peptides with antimicrobial activity have therapeutic potential for treating bacterial infections. Mechanisms of actions for antimicrobial peptides require binding the biological membrane of their target, which often represents a key…

Biomolecules · Quantitative Biology 2021-11-05 Jacob M. Remington , Jonathon B. Ferrell , Jianing Li