Results 21 to 30 of about 744,325 (256)

PNMAVis: Visual Analysis Tool of Protein Normal Mode for Understanding Cavity Dynamics

Applied Sciences, 2022
Molecular cavities play a critical role in our understanding of molecular phenomena. Recently, a number of works on the visual analysis of protein cavity dynamics have been developed to allow experts and users to interactively research dynamic cavity ...
Dongliang Guo, Li Feng, Taoxiang Zhang, Yaoyao Guo, Yanfen Wang, Ximing Xu   +5 more
doaj   +1 more source

Normalizing Normal Mode Analysis [PDF]

Structure, 2007
A detailed understanding of protein dynamics remains elusive. Recent comparisons of computer simulations with experimental data are calibrating the methods and establishing their applications. In this issue of Structure, Kondrashov et al. (2007) exemplify the approach by comparing computed normal modes with measured crystallographic B factors.
openaire   +1 more source

Normal Mode Analysis of the Nonlinear Acoustic Wave Equation

Walailak Journal of Science and Technology, 2013
Second-harmonic generation in non-linear media is investigated. A normal mode analysis is proposed based on the Westervelt equation under the second-order approximation in nonlinear acoustics.
Mohamed Ibrahim Ahmed OTHMAN, Mohamed Galal Sayed ALI, Roushdi Mohamed FAROUK   +2 more
doaj   +1 more source

Instantaneous Normal Mode Analysis of Supercooled Water [PDF]

Physical Review Letters, 2000
We use the instantaneous normal mode approach to provide a description of the local curvature of the potential energy surface of a model for water. We focus on the region of the phase diagram in which the dynamics may be described by the mode-coupling theory.
La Nave E, Scala A, Starr FW, Sciortino F, Stanley HE   +4 more
openaire   +4 more sources

Study of micro‐elongated thermoelastic medium loaded with a piezoelectric layer under the influence of gravity using the dual‐phase‐lag model

International Journal of Mechanical System Dynamics, 2023
This paper aims to examine the influence of gravity on a thermoelastic micro‐elongated layer when a piezoelectric layer is above it, utilizing the theory of Lord–Shulman (L–S) and also the model of dual‐phase‐lag (DPL).
Mohamed I. A. Othman, Ebtesam E. M. Eraki, Mohamed F. Ismail   +2 more
doaj   +1 more source

Normal-mode analysis for collective neutrino oscillations [PDF]

Journal of Cosmology and Astroparticle Physics, 2018
In an interacting neutrino gas, collective modes of flavor coherence emerge that can be propagating or unstable. We derive the general dispersion relation in the linear regime that depends on the neutrino energy and angle distribution. The essential scales are the vacuum oscillation frequency $ω=Δm^2/(2E)$, the neutrino-neutrino interaction energy $μ ...
Airen S., Capozzi Francesco, Chakraborty S., Dasgupta B., Raffelt G., Stirner T.   +5 more
openaire   +4 more sources

Insight into the conserved structural dynamics of the C-terminus of mammal PrPC identifies structural core and possible structural role of pharmacological chaperones

Prion, 2023
Misfolding of the prion protein is central to prion disease aetiology. Although understanding the dynamics of the native fold helps to decipher the conformational conversion mechanism, a complete depiction of distal but coupled prion protein sites common
Patricia Soto, Garrett M. Gloeb, Kaitlin A. Tsuchida, Austin A. Charles, Noah M. Greenwood, Heidi Hendrickson   +5 more
doaj   +1 more source

Plane Strain Deformation In A Thermoelastic Microelongated Solid With Internal Heat Source

International Journal of Applied Mechanics and Engineering, 2015
The purpose of this paper is to study the two dimensional deformation due to an internal heat source in a thermoelastic microelongated solid. A mechanical force is applied along an overlaying elastic layer of thickness h .
P. Ailawalia, S.K. Sachdeva, D.S. Pathania   +2 more
doaj   +1 more source

Excited-state normal-mode analysis: The case of porphyrins

The Journal of Chemical Physics, 2023
We systematically applied excited-state normal mode analysis to investigate and compare the relaxation and internal conversion dynamics of a free-base porphyrin (BP) with those of a novel functional porphyrin (FP) derivative. We discuss the strengths and limitations of this method and employ it to predict very different dynamical behaviors of the two ...
Pavel Rukin, Deborah Prezzi, Carlo Andrea Rozzi   +2 more
openaire   +4 more sources

iMod: multipurpose normal mode analysis in internal coordinates [PDF]

Bioinformatics, 2011
AbstractMotivation: Dynamic simulations of systems with biologically relevant sizes and time scales are critical for understanding macromolecular functioning. Coarse-grained representations combined with normal mode analysis (NMA) have been established as an alternative to atomistic simulations.
José Ramón López-Blanco, José Ignacio Garzón, Pablo Chacón   +2 more
openaire   +3 more sources