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We investigate proteins within heterogeneous cell membranes where non-equilibrium phenomena arises from spatial variations in concentration and temperature. We develop simulation methods building on non-equilibrium statistical mechanics to…

Soft Condensed Matter · Physics 2025-08-28 D. Jasuja , P. J. Atzberger

Materials that behave like machines, e.g. functional materials that are able to change shape in response to external stimuli (Bhattacharya and James, 2005), often do so by exploiting phase transitions. Shape memory materials and the tail…

Materials Science · Physics 2019-03-13 Matthew P. O'Donnell , Jonathan P. Stacey , Isaac V. Chenchiah , Alberto Pirrera

Proteins and nucleic acids can spontaneously self-assemble into membraneless droplet-like compartments, both in vitro and in vivo. A key component of these droplets are multi-valent proteins that possess several adhesive domains with…

Biomolecules · Quantitative Biology 2020-01-10 Srivastav Ranganathan , Eugene Shakhnovich

Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…

Soft Condensed Matter · Physics 2009-02-23 Michael Vogel

Metasurfaces are artificial thin materials that achieve optical thickness through thin geometrical structure. This feature of metasurfaces results in unprecedented benefits for enhancing the performance of optoelectronic devices. In this…

Optics · Physics 2023-08-14 Ryosuke Nakayama , Sohei Saito , Takuo Tanaka , Wakana Kubo

We cast the problem of protein transfer free energy within the formalism of density functional theory (DFT), treating the protein as a source of external potential that acts upon the solvent. Solvent excluded volume, solvent-accessible…

Biomolecules · Quantitative Biology 2013-10-07 Eric A Mills , Steven S Plotkin

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

Dielectric microspheres with diameters on the order of several wavelengths of light have attracted increasing attention from the photonics community due to their ability to produce extraordinarily tightly focused beams termed photonic…

Optics · Physics 2015-03-12 Kenneth W. Allen

Proteins are large and complex molecular machines. In order to perform their function, most of them need energy, e.g. either in the form of a photon, like in the case of the visual pigment rhodopsin, or through the breaking of a chemical…

Biomolecules · Quantitative Biology 2009-11-13 Francesco Piazza , Yves-Henri Sanejouand

It is shown that a small subset of modes which are likely to be involved in protein functional motions of large amplitude can be determined by retaining the most robust normal modes obtained using different protein models. This result…

Biomolecules · Quantitative Biology 2007-05-23 Samuel Nicolay , Yves-Henri Sanejouand

Colloidal migration in temperature gradient is referred to as thermophoresis. In contrast to particles with spherical shape, we show that elongated colloids may have a thermophoretic response that varies with the colloid orientation.…

Soft Condensed Matter · Physics 2017-10-19 Zihan Tan , Mingcheng Yang , Marisol Ripoll

Cellular functions are established through biological evolution, but are constrained by the laws of physics. For instance, the physics of protein folding limits the lengths of cellular polypeptide chains. Consequently, many cellular…

Biological Physics · Physics 2019-07-09 Pablo Sartori , Stanislas Leibler

We review the development of thermodynamic protein hydropathic scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Darwinian evolution has organized each protein family…

Molecular Networks · Quantitative Biology 2021-05-27 J. C. Phillips

The capacity of proteins to interact specifically with one another underlies our conceptual understanding of how living systems function. Systems-level study of specificity in protein-protein interactions is complicated by the fact that the…

Biomolecules · Quantitative Biology 2009-11-13 Eric Deeds , orr Ashenberg , Jaline Gerardine , Eugene Shakhnovich

There have been suggestions that heat caused by cerebral metabolic activity may constrain mammalian brain evolution, architecture, and function. This article investigates physical limits on brain wiring and corresponding changes in brain…

Neurons and Cognition · Quantitative Biology 2024-04-23 Jan Karbowski

The anisotropic feature of charge transfer reactions in realistic proteins cannot be ignored, due to the highly complex chemical structure of bio-molecules. In this work, we have performed the first large-scale quantitative assessment of…

Chemical Physics · Physics 2018-04-17 Hongwei Wang , Fang Liu , Tiange Dong , Likai Du , Dongju Zhang , Jun Gao

PtBi$_2$ is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of PtBi$_2$. Selected area electron diffraction, X-ray…

Geometric phases in particle diffusion systems, an intriguing aspect enlightened from thermal systems, offer a different understanding beyond traditional Brownian motion and Fick's laws. This concept introduces a phase factor with…

Statistical Mechanics · Physics 2023-11-07 Jinrong Liu , Liujun Xu , Gaole Dai , Gang Wang

A coarse-grained molecular dynamics model of linear polyethylene-like polymer chain system was built to investigate the responds of structure and mechanical properties during uniaxial deformation. The influence of chain length, temperature,…

Soft Condensed Matter · Physics 2020-05-19 Cheng Li , Yingrui Shang , Huan Xu , Jinqing Li , Shichun Jiang

We present the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by…

Soft Condensed Matter · Physics 2015-06-25 D. Marenduzzo , A. Flammini , A. Trovato , J. R. Banavar , A. Maritan