Journal
PHYSICAL REVIEW LETTERS
Volume 115, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.115.048301
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Funding
- NSF [DMR-1207437]
- CNPq (National Council for Scientific and Technological Development, Brazil) [402091/2012-4]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1207437] Funding Source: National Science Foundation
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By means of extensive replica-exchange simulations of generic coarse-grained models for helical polymers, we systematically investigate the structural transitions into all possible helical phases for flexible and semiflexible elastic polymers with self-interaction under the influence of torsion barriers. The competing interactions lead to a variety of conformational phases including disordered helical arrangements, single helices, and ordered, tertiary helix bundles. Most remarkably, we find that a bending restraint entails a clear separation and stabilization of the helical phases. This aids in understanding why semiflexible polymers such as double-stranded DNA tend to form pronounced helical structures and proteins often exhibit an abundance of helical structures, such as helix bundles, within their tertiary structure.
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