Influence of lipid bilayer on the GPCR structure: Comparison of all-atom lipid force fields

Spontaneous bilayer self-assembly of zwitterionic and anionic phospholipids probed by unbiased all-atom molecular dynamics (MD) simulations with three major lipid force fields.

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Molecular dynamics simulations of gramicidin A in a lipid bilayer: From structure–function relations to force fields

Chemistry and Physics of Lipids ◽

10.1016/j.chemphyslip.2006.02.012 ◽

2006 ◽

Vol 141 (1-2) ◽

pp. 197-204 ◽

Cited By ~ 14

Author(s):

Turgut BaştuĞ ◽

Swarna M. Patra ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Structure Function ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Force Fields ◽

Gramicidin A ◽

Dynamics Simulations

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Interaction of Poloxamers with Lipid Bilayer: Molecular Dynamics Simulations using United Atom and Coarse-Grained Force Fields

Biophysical Journal ◽

10.1016/j.bpj.2015.11.1355 ◽

2016 ◽

Vol 110 (3) ◽

pp. 246a

Author(s):

Upendra Adhikari ◽

Ardeshir Goliaei ◽

Max L. Berkowitz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Lipid Bilayer ◽

Force Fields ◽

Coarse Grained ◽

Dynamics Simulations

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Use of the Magnetostatic Analogue In Electromagnetic Lens Engineering

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100068795 ◽

1970 ◽

Vol 28 ◽

pp. 360-361

Author(s):

John W. Coleman

Keyword(s):

Boundary Conditions ◽

High Performance ◽

Force Fields ◽

Optical Design ◽

Direct Conversion ◽

Design Engineering ◽

Design Data ◽

Scalar Potentials ◽

Geometric Elements ◽

At Will

In the design engineering of high performance electromagnetic lenses, the direct conversion of electron optical design data into drawings for reliable hardware is oftentimes difficult, especially in terms of how to mount parts to each other, how to tolerance dimensions, and how to specify finishes. An answer to this is in the use of magnetostatic analytics, corresponding to boundary conditions for the optical design. With such models, the magnetostatic force on a test pole along the axis may be examined, and in this way one may obtain priority listings for holding dimensions, relieving stresses, etc..The development of magnetostatic models most easily proceeds from the derivation of scalar potentials of separate geometric elements. These potentials can then be conbined at will because of the superposition characteristic of conservative force fields.

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