2015
DOI: 10.7546/giq-16-2015-282-300
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Geometric Models for Secondary Structures in Proteins

Abstract: This reports represents a study of beta barrels as a secondary structure in proteins, using methods from differential geometry and variational calculus, namely Dirichlet and Willmore-type energies. We review some historical models of beta sheets and barrels based on best-fitting hyperboloids and catenoids, respectively, and explain why those models are outdated. We provide an elastic membrane model for these structures, via a Willmore type energy that is similar to the Helfrich energy for lipid bilayers.

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Cited by 4 publications
(7 citation statements)
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“…Given a physical model such as the curvature functional F (M ), a basic question one can ask is where it is extremized. That is, it is important to know what surface immersions are extremal for a given functional, because their image surfaces are good candidates for physically relevant objects (see [10,11,5]). To accomplish this for F its first variation is computed, yielding a PDE in the mean curvature H. Solutions to this equation then provide the mean curvature functions corresponding to the surface immersions of interest.…”
Section: The First Variationmentioning
confidence: 99%
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“…Given a physical model such as the curvature functional F (M ), a basic question one can ask is where it is extremized. That is, it is important to know what surface immersions are extremal for a given functional, because their image surfaces are good candidates for physically relevant objects (see [10,11,5]). To accomplish this for F its first variation is computed, yielding a PDE in the mean curvature H. Solutions to this equation then provide the mean curvature functions corresponding to the surface immersions of interest.…”
Section: The First Variationmentioning
confidence: 99%
“…To further simplify this, recall the Codazzi-Mainardi equation (11), expressed in coordinate form as…”
Section: The Second Variationmentioning
confidence: 99%
See 1 more Smart Citation
“…This means that t is the arc length s along the contour curve Γ. Then, in terms of the tangent angle φ we haveṙ = cos φ,ḣ = sin φ (12) and can rewrite equation…”
Section: Euler-lagrange Equationsmentioning
confidence: 99%
“…[1,7,10] and references therein) and in the context of applications, for instance, in structural mechanics, biophysics and mathematical biology (see, e.g. [2,7,8,11,12]).…”
Section: Introductionmentioning
confidence: 99%