Results 21 to 30 of about 745,557 (256)
Frontiers in Molecular Biosciences, 2022 Recent years have seen several hybrid simulation methods for exploring the conformational space of proteins and their complexes or assemblies. These methods often combine fast analytical approaches with computationally expensive full atomic molecular ...
Burak T. Kaynak +11 more
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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.
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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 +2 more
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Two-Dimensional Analysis of Functionally Graded Thermoelastic Microelongated Solid
International Journal of Applied Mechanics and Engineering, 2022 The present research focuses on two-dimensional deformation in a functionally graded thermoelastic micro-elongated medium. It is supposed that the non-homogeneous properties (thermal and mechanical) of FGM are in the x-direction.
Anchal Sharma, Praveen Ailawalia
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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 +4 more
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Molecules, 2020 Cardiac arrhythmias are serious, life-threatening diseases associated with the dysregulation of Ca2+ influx into the cytoplasm of cardiomyocytes. This dysregulation often arises from dysfunction of ryanodine receptor 2 (RyR2), the principal Ca2+ release ...
Vladena Bauerová-Hlinková +2 more
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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. +5 more
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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 +5 more
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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 +2 more
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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 +2 more
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