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Optimal shapes of compact strings

Author

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  • Amos Maritan

    (International School for Advanced Studies (SISSA), Via Beirut 2–4, 34014 Trieste, Istituto Nazionale per la di Fisica della Materia (INFM) and the Abdus Salam International Center for Theoretical Physics)

  • Cristian Micheletti

    (International School for Advanced Studies (SISSA), Via Beirut 2–4, 34014 Trieste, Istituto Nazionale per la di Fisica della Materia (INFM) and the Abdus Salam International Center for Theoretical Physics)

  • Antonio Trovato

    (International School for Advanced Studies (SISSA), Via Beirut 2–4, 34014 Trieste, Istituto Nazionale per la di Fisica della Materia (INFM) and the Abdus Salam International Center for Theoretical Physics)

  • Jayanth R. Banavar

    (104 Davey Laboratory, The Pennsylvania State University)

Abstract

Optimal geometrical arrangements, such as the stacking of atoms, are of relevance in diverse disciplines1,2,3,4,5. A classic problem is the determination of the optimal arrangement of spheres in three dimensions in order to achieve the highest packing fraction; only recently has it been proved1,2 that the answer for infinite systems is a face-centred-cubic lattice. This simply stated problem has had a profound impact in many areas3,4,5, ranging from the crystallization and melting of atomic systems, to optimal packing of objects and the sub-division of space. Here we study an analogous problem—that of determining the optimal shapes of closely packed compact strings. This problem is a mathematical idealization of situations commonly encountered in biology, chemistry and physics, involving the optimal structure of folded polymeric chains. We find that, in cases where boundary effects6 are not dominant, helices with a particular pitch-radius ratio are selected. Interestingly, the same geometry is observed in helices in naturally occurring proteins.

Suggested Citation

  • Amos Maritan & Cristian Micheletti & Antonio Trovato & Jayanth R. Banavar, 2000. "Optimal shapes of compact strings," Nature, Nature, vol. 406(6793), pages 287-290, July.
  • Handle: RePEc:nat:nature:v:406:y:2000:i:6793:d:10.1038_35018538
    DOI: 10.1038/35018538
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    Cited by:

    1. Ivan Coluzza & Alfonso De Simone & Franca Fraternali & Daan Frenkel, 2008. "Multi-Scale Simulations Provide Supporting Evidence for the Hypothesis of Intramolecular Protein Translocation in GroEL/GroES Complexes," PLOS Computational Biology, Public Library of Science, vol. 4(2), pages 1-7, February.
    2. Thomas Hamelryck & John T Kent & Anders Krogh, 2006. "Sampling Realistic Protein Conformations Using Local Structural Bias," PLOS Computational Biology, Public Library of Science, vol. 2(9), pages 1-13, September.

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