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Structural classification shows that the number of different protein folds is surprisingly small. It also appears that proteins are built in a modular fashion, from a relatively small number of components. Here we propose to identify the…

生物物理 · 物理学 2015-05-30 Andrei Krokhotin , Antti J. Niemi , Xubiao Peng

We inquire how structure emerges during the process of protein folding. For this we scrutinise col- lective many-atom motions during all-atom molecular dynamics simulations. We introduce, develop and employ various topological techniques,…

生物大分子 · 定量生物学 2016-04-06 Jin Dai , Antti J. Niemi , Jianfeng He , Adam Sieradzan , Nevena Ilieva

Protein collapse can be viewed as a dynamical phase transition, during which new scales and collective variables become excited while the old ones recede and fade away. This causes formidable computational bottle-necks in approaches that…

生物物理 · 物理学 2011-11-09 Andrey Krokhotin , Martin Lundgren , Antti J. Niemi

A phenomenological model hamiltonian to describe the folding of a protein with any given sequence is proposed. The protein is thought of as a collection of pieces of helices; as a consequence its configuration space increases with the…

软凝聚态物质 · 物理学 2009-10-30 Pierpaolo Bruscolini

In this review we try to capture some of the recent excitement induced by experimental developments, but also by a large volume of theoretical and computational studies addressing multi-component nonlinear Schrodinger models and the…

量子气体 · 物理学 2015-12-22 P. G. Kevrekidis , D. J. Frantzeskakis

We suggest that Davidov's solitons, propagating through the backbone of a protein, can mediate conformational transition and folding of a protein to its native state. A simple toy model is presented in which a Non Linear Schrodinger (NLS)…

凝聚态物理 · 物理学 2007-05-23 Shay Caspi , Eshel Ben-Jacob

In the present work, we study, by means of a one-dimensional lattice model, the collective excitations corresponding to intra molecular ones of a chain like proteins. It is shown that such excitations are described by the Nonlinear…

斑图形成与孤子 · 物理学 2009-05-30 E. Villagran , J. Socorro , Ricardo Garcia-Salcedo , M. Aguero

A geometric analysis of protein folding, which complements many of the models in the literature, is presented. We examine the process from unfolded strand to the point where the strand becomes self-interacting. A central question is how it…

数学物理 · 物理学 2008-09-13 Walter A. Simmons , Joel L. Weiner

We analyse the structure of the exact, dark and bright soliton solutions of the driven non-linear Schr\"odinger equation. It is found that, a wide class of solutions of the higher order non-linear Schr\"odinger equation with a source can…

可精确求解与可积系统 · 物理学 2007-05-23 Vivek M Vyas , T Soloman Raju , C Nagaraja Kumar , Prasanta K Panigrahi

We derive a class of discrete nonlinear Schr{\"o}dinger (DNLS) equations for general polynomial nonlinearity whose stationary solutions can be found from a reduced two-point algebraic problem. It is demonstrated that the derived class of…

斑图形成与孤子 · 物理学 2007-05-23 S. V. Dmitriev , P. G. Kevrekidis , A. A. Sukhorukov , N. Yoshikawa , S. Takeno

We introduce a new nonlinear model for classification, in which we model the joint distribution of response variable, y, and covariates, x, non-parametrically using Dirichlet process mixtures. We keep the relationship between y and x linear…

统计理论 · 数学 2007-05-23 Babak Shahbaba , Radford M. Neal

We develop a general classification of the infinite number of families of solitons and soliton complexes in the one-dimensional Gross-Pitaevskii/nonlinear Schrodinger equation with a nonlinear lattice pseudopotential, i.e., periodically…

斑图形成与孤子 · 物理学 2016-08-03 M. E. Lebedev , G. L. Alfimov , Boris A. Malomed

In this study we evaluate, at full atomic detail, the folding processes of two small helical proteins, the B domain of protein A and the Villin headpiece. Folding kinetics are studied by performing a large number of ab initio Monte Carlo…

生物大分子 · 定量生物学 2011-11-10 Jae Shick Yang , Stefan Wallin , Eugene Shakhnovich

A novel approach to protein folding dynamics is presented. We suggest that folding of protein may be mediated via interaction with solitons which propagate along the molecular chain. A simple toy model is presented in which a Sine-Gordon…

凝聚态物理 · 物理学 2007-05-23 S. Caspi , E. Ben-Jacob

We study the Derivative Nonlinear Schr\"odinger equation for generic initial data in a weighted Sobolev space that can support bright solitons (but exclude spectral singularities). Drawing on previous well-posedness results, we give a full…

偏微分方程分析 · 数学 2018-05-23 Robert Jenkins , Jiaqi Liu , Peter Perry , Catherine Sulem

We discuss recent theoretical developments in the study of simple lattice models of proteins. Such models are designed to understand general features of protein structures and mechanism of folding. Among the topics covered are (i) the use…

软凝聚态物质 · 物理学 2007-05-23 D. Thirumalai , D. K. Klimov

We characterize the soliton solutions of the nonlinear Schroedinger equation on the half line with linearizable boundary conditions. Using an extension of the solution to the whole line and the corresponding symmetries of the scattering…

可精确求解与可积系统 · 物理学 2015-05-13 Gino Biondini , Guenbo Hwang

We implement the dressing method for a novel integrable generalization of the nonlinear Schr\"odinger equation. As an application, explicit formulas for the $N$-soliton solutions are derived. As a by-product of the analysis, we find a…

可精确求解与可积系统 · 物理学 2010-05-12 Jonatan Lenells

We construct one soliton solutions for the nonlinear Schroedinger equation with variable quadratic Hamiltonians in a unified form by taking advantage of a complete (super) integrability of generalized harmonic oscillators. The soliton wave…

数学物理 · 物理学 2010-11-25 Erwin Suazo , Sergei K. Suslov

Irrotational ow of a spherical thin liquid layer surrounding a rigid core is described using the defocusing nonlinear Schrodinger equation. Accordingly, azimuthal moving nonlinear waves are modeled by periodic dark solitons expressed by…

斑图形成与孤子 · 物理学 2021-08-04 A. S. Carstea , A. Ludu
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