scholarly journals Force spectroscopy of a biomimetic polymer in molecular simulations via perturbation theory

2020 ◽  
Author(s):  
Aviel Chaimovich
Keyword(s):  
Perturbation Theory ◽  
Molecular Simulations ◽  
Force Spectroscopy ◽  
Biomimetic Polymer

scholarly journals The generic unfolding of a biomimetic polymer during force spectroscopy

Soft Matter ◽  
2020 ◽  
Vol 16 (16) ◽  
pp. 3941-3951
Author(s):  
Aviel Chaimovich ◽  
Christian Leitold ◽  
Christoph Dellago
Keyword(s):  
Protein Unfolding ◽  
Molecular Simulations ◽  
Force Spectroscopy ◽  
Free Energies ◽  
Biomimetic Polymer ◽  
General Signature

By computing free energies with molecular simulations, we find a general signature for protein unfolding in force spectroscopy, and in turn, we present a useful formula for experimentalists.

Fluid of Hard Spheres with a Modified Dipole: Simulation and Theory

2008 ◽  
Vol 73 (4) ◽  
pp. 541-557
Author(s):  
Jan Jirsák ◽  
Ivo Nezbeda
Keyword(s):  
Perturbation Theory ◽  
Hard Spheres ◽  
Molecular Simulations ◽  
Point Dipole ◽  
Molecular Fluids ◽  
Pade Approximant ◽  
Different Types ◽  
Model Fluid ◽  
Dipolar Systems ◽  
Theoretical Results

A model fluid made up of hard spheres with a modified point dipole, resulting from application of a perturbation theory to general molecular fluids, is studied by both molecular simulations and theory. Molecular simulations at 64 state points have been performed for two different types of modification. Two variants of Rushbrooke's Padé approximant are used to describe the system theoretically. No satisfactory theoretical results are obtained due to tendencies of the modified dipolar systems to form ferroelectric ordering.

scholarly journals Insights into the structure and nanomechanics of a quatsome membrane by force spectroscopy measurements and molecular simulations

Nanoscale ◽  
2018 ◽  
Vol 10 (48) ◽  
pp. 23001-23011 ◽  
Author(s):  
Berta Gumí-Audenis ◽  
Sílvia Illa-Tuset ◽  
Natascia Grimaldi ◽  
Laia Pasquina-Lemonche ◽  
Lidia Ferrer-Tasies ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Membrane Structure ◽  
Molecular Simulations ◽  
Force Spectroscopy

Quatsomes (QS) membrane structure and nanomechanics. Promising candidates for drug delivery based on deformable vesicles.

A Perturbation Theory for the Population of Atomic Energy Levels in Non-Lte Plasmas

1988 ◽  
Vol 102 ◽  
pp. 343-347
Author(s):  
M. Klapisch
Keyword(s):  
Perturbation Theory ◽  
Small Parameter ◽  
Classification Scheme ◽  
Sum Rules ◽  
Energy Levels ◽  
Natural Classification ◽  
Quantum Numbers ◽  
Formal Expansion ◽  
Atomic Energy Levels ◽  
As Effects

AbstractA formal expansion of the CRM in powers of a small parameter is presented. The terms of the expansion are products of matrices. Inverses are interpreted as effects of cascades.It will be shown that this allows for the separation of the different contributions to the populations, thus providing a natural classification scheme for processes involving atoms in plasmas. Sum rules can be formulated, allowing the population of the levels, in some simple cases, to be related in a transparent way to the quantum numbers.

Energy, Information, and Superluminal Speed in Quantum Electrodynamics

2020 ◽  
pp. 27-33
Author(s):  
Boris A. Veklenko
Keyword(s):  
Electromagnetic Field ◽  
Perturbation Theory ◽  
Quantum Electrodynamics ◽  
Excited Atom ◽  
Standard Quantum ◽  
Energy Information

Without using the perturbation theory, the article demonstrates a possibility of superluminal information-carrying signals in standard quantum electrodynamics using the example of scattering of quantum electromagnetic field by an excited atom.

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