Folding thermodynamics and kinetics of imprinted renaturable heteropolymers

V. S. Pande, A. Yu Grosberg, T. Tanaka

    Research output: Contribution to journalArticle

    Abstract

    Recently, a procedure was suggested to synthesize polymers with characteristics similar to those observed in globular proteins: renaturability and the existence of an "active site" capable of specifically recognizing a given target molecule. This procedure was originally studied using a computer simulation of the thermodynamics of lattice 27-mers. This analysis is extended to the thermodynamic study of longer chains (36-mers) and different types of short range interactions. We found, in the best conditions, a 50% success rate of creating renaturable heteropolymers, thus confirming the original results. Folding kinetics as examined by Monte Carlo simulation show that the imprinted sequences can reach the ground state reliably and quickly. Finally, we compare the correlations found in the imprinted sequences with those found in natural proteins. We interpret these results as the confirmation of the efficacy of the polymerization procedure.

    Original languageEnglish (US)
    Pages (from-to)8246-8257
    Number of pages12
    JournalThe Journal of chemical physics
    Volume101
    Issue number9
    StatePublished - 1994

    Fingerprint

    folding
    Thermodynamics
    proteins
    thermodynamics
    Kinetics
    kinetics
    Ground state
    Polymers
    Proteins
    polymerization
    computerized simulation
    Polymerization
    Molecules
    ground state
    Computer simulation
    polymers
    molecules
    simulation
    interactions
    Monte Carlo simulation

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics

    Cite this

    Pande, V. S., Grosberg, A. Y., & Tanaka, T. (1994). Folding thermodynamics and kinetics of imprinted renaturable heteropolymers. The Journal of chemical physics, 101(9), 8246-8257.

    Folding thermodynamics and kinetics of imprinted renaturable heteropolymers. / Pande, V. S.; Grosberg, A. Yu; Tanaka, T.

    In: The Journal of chemical physics, Vol. 101, No. 9, 1994, p. 8246-8257.

    Research output: Contribution to journalArticle

    Pande, VS, Grosberg, AY & Tanaka, T 1994, 'Folding thermodynamics and kinetics of imprinted renaturable heteropolymers', The Journal of chemical physics, vol. 101, no. 9, pp. 8246-8257.
    Pande, V. S. ; Grosberg, A. Yu ; Tanaka, T. / Folding thermodynamics and kinetics of imprinted renaturable heteropolymers. In: The Journal of chemical physics. 1994 ; Vol. 101, No. 9. pp. 8246-8257.
    @article{58624ebedf214aaab8b9fd8048b77b90,
    title = "Folding thermodynamics and kinetics of imprinted renaturable heteropolymers",
    abstract = "Recently, a procedure was suggested to synthesize polymers with characteristics similar to those observed in globular proteins: renaturability and the existence of an {"}active site{"} capable of specifically recognizing a given target molecule. This procedure was originally studied using a computer simulation of the thermodynamics of lattice 27-mers. This analysis is extended to the thermodynamic study of longer chains (36-mers) and different types of short range interactions. We found, in the best conditions, a 50{\%} success rate of creating renaturable heteropolymers, thus confirming the original results. Folding kinetics as examined by Monte Carlo simulation show that the imprinted sequences can reach the ground state reliably and quickly. Finally, we compare the correlations found in the imprinted sequences with those found in natural proteins. We interpret these results as the confirmation of the efficacy of the polymerization procedure.",
    author = "Pande, {V. S.} and Grosberg, {A. Yu} and T. Tanaka",
    year = "1994",
    language = "English (US)",
    volume = "101",
    pages = "8246--8257",
    journal = "Journal of Chemical Physics",
    issn = "0021-9606",
    publisher = "American Institute of Physics Publising LLC",
    number = "9",

    }

    TY - JOUR

    T1 - Folding thermodynamics and kinetics of imprinted renaturable heteropolymers

    AU - Pande, V. S.

    AU - Grosberg, A. Yu

    AU - Tanaka, T.

    PY - 1994

    Y1 - 1994

    N2 - Recently, a procedure was suggested to synthesize polymers with characteristics similar to those observed in globular proteins: renaturability and the existence of an "active site" capable of specifically recognizing a given target molecule. This procedure was originally studied using a computer simulation of the thermodynamics of lattice 27-mers. This analysis is extended to the thermodynamic study of longer chains (36-mers) and different types of short range interactions. We found, in the best conditions, a 50% success rate of creating renaturable heteropolymers, thus confirming the original results. Folding kinetics as examined by Monte Carlo simulation show that the imprinted sequences can reach the ground state reliably and quickly. Finally, we compare the correlations found in the imprinted sequences with those found in natural proteins. We interpret these results as the confirmation of the efficacy of the polymerization procedure.

    AB - Recently, a procedure was suggested to synthesize polymers with characteristics similar to those observed in globular proteins: renaturability and the existence of an "active site" capable of specifically recognizing a given target molecule. This procedure was originally studied using a computer simulation of the thermodynamics of lattice 27-mers. This analysis is extended to the thermodynamic study of longer chains (36-mers) and different types of short range interactions. We found, in the best conditions, a 50% success rate of creating renaturable heteropolymers, thus confirming the original results. Folding kinetics as examined by Monte Carlo simulation show that the imprinted sequences can reach the ground state reliably and quickly. Finally, we compare the correlations found in the imprinted sequences with those found in natural proteins. We interpret these results as the confirmation of the efficacy of the polymerization procedure.

    UR - http://www.scopus.com/inward/record.url?scp=0001117662&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=0001117662&partnerID=8YFLogxK

    M3 - Article

    VL - 101

    SP - 8246

    EP - 8257

    JO - Journal of Chemical Physics

    JF - Journal of Chemical Physics

    SN - 0021-9606

    IS - 9

    ER -