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These lectures will address two questions. Is there a simple variational principle underlying the existence of secondary motifs in the native state of proteins? Is there a general approach which can qualitatively capture the salient…

Statistical Mechanics · Physics 2007-05-23 Jay Banavar , Amos Maritan , Cristian Micheletti , Flavio Seno

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

Artificial Intelligence · Computer Science 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

Elucidation of possible pathways between folded (native) and unfolded states of a protein is a challenging task, as the intermediates are often hard to detect. Here we alter the solvent environment in a controlled manner by choosing two…

Biomolecules · Quantitative Biology 2014-04-22 Susmita Roy , Biman Bagchi

Theoretical proposals of scaling laws for the differential elastic scattering cross sections of protons are confronted with experimental data over a wide energy range. Different combinations of the transferred momentum and energy resulting…

High Energy Physics - Phenomenology · Physics 2015-06-12 I. M. Dremin , V. A. Nechitailo

Silica nanoparticles have emerged as key building blocks for advanced applications in electronics, catalysis, energy storage, biomedicine, and environmental science. In this review, we focus on recent developments in both the synthesis and…

Materials Science · Physics 2025-03-31 Srabani Karmakar , Milind Deo , Imteaz Rahaman , Swomitra Kumar Mohanty

Many of the concepts which are at the basis of the development associated with a quantitative treatment of the variety of phenomena associated with the spontaneous breaking of gauge symmetry in nuclei have been instrumental in connection…

Nuclear Theory · Physics 2017-08-23 R. A. Broglia

The electronic band structure of crystals is generally influenced by the periodic arrangement of their constituent atoms. Specifically, the emerging two-dimensional (2D) layered structures have shown different band structures with respect…

Materials Science · Physics 2017-01-04 Seho Yi , Jin-Ho Choi , Kimoon Lee , Sung Wng Kim , Chul Hong Park , Jun-Hyung Cho

The mechanisms of cold- and pressure-denaturation of proteins are matter of debate and are commonly understood as due to water-mediated interactions. Here we study several cases of proteins, with or without a unique native state, with or…

Biological Physics · Physics 2026-01-13 Valentino Bianco , Giancarlo Franzese

Differential cross sections for electromagnetic dissociation in nucleus-nucleus collisions are calculated. The kinetic energy distribution is parameterized with a Boltzmann distribution and the angular distribution is assumed isotropic in…

Nuclear Theory · Physics 2008-11-26 John W. Norbury , Anne Adamczyk

The diffraction patterns of crystalline materials with local order contain sharp Bragg reflections as well as highly structured diffuse scattering. The instrumental requirements, experimental parameters and data processing techniques for…

Materials Science · Physics 2023-11-29 Romy Poppe , Joke Hadermann

We present results from extensive 3-d molecular dynamics (MD) simulations of phase separation kinetics in fluids. A coarse-graining procedure is used to obtain state-of-the-art MD results. We observe an extended period of temporally linear…

Statistical Mechanics · Physics 2015-05-19 Shaista Ahmad , Subir K. Das , Sanjay Puri

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

The use of polymer-based surfactants in the double-emulsion (water/oil/water, W/O/W) solvent-evaporation technique is becoming a widespread strategy for preparing biocompatible and biodegradable polymeric nanoparticles (NPs) loaded with…

Crystallography may be the gold standard of protein structure determination, but obtaining the necessary high-quality crystals is also in some ways akin to prospecting for the precious metal. The tools and models developed in soft matter…

Soft Condensed Matter · Physics 2016-02-10 Diana Fusco , Patrick Charbonneau

The transport of polyelectrolytes confined by oppositely charged surfaces and driven by a constant electric field is of interest in studies of DNA separation according to size. Using molecular dynamics simulations that include surface…

Soft Condensed Matter · Physics 2020-09-15 Debarshee Bagchi , Monica Olvera de la Cruz

Hydrostatic pressure is a common perturbation to probe the conformations of proteins. There are two common forms of pressure dependent potentials of mean force (PMFs) derived from hydrophobic molecules available for the coarse grained…

Biomolecules · Quantitative Biology 2020-11-17 Andrei G. Gasic , Margaret S. Cheung

Different aspects of protein folding are illustrated by simplified polymer models. Stressing the diversity of side chains (residues) leads one to view folding as the freezing transition of an heteropolymer. Technically, the most common…

Soft Condensed Matter · Physics 2007-05-23 T. Garel

This paper investigates the problem of electrophoretic motion of a polyelectrolyte capsule with a porous arbitrary charged conducting shell in an electrolyte under the action of an external electric field. The corresponding boundary value…

Fluid Dynamics · Physics 2021-08-11 Anatoly N. Filippov , Daria Yu. Khanukaeva , Petr A. Aleksandrov

The separation of colloidal particles based solely on their surface properties is a highly challenging task. This study demonstrates that diffusiophoresis and diffusioosmosis enable the continuous separation of carboxylate polystyrene…

Elastic interactions arising from a difference of lattice spacing between two coherent phases can have a strong influence on the phase separation (coarsening) of alloys. If the elastic moduli are different in the two phases, the elastic…

Mathematical Physics · Physics 2015-06-26 P. Fratzl , O. Penrose , J. L. Lebowitz