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August 1, 2003The Journal of Physical Chemistry B

Relationship between the Mechanical Properties and Topology of Cross-Linked Polymer Molecules: Parallel Strands Maximize the Strength of Model Polymers and Protein Domains

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Key result

Simulated parallel cross-linked polymers maximize unfolding resistance over random chains via all-or-none unfolding.

Population

Cross-linked polymer chains and protein domains (e.g., immunoglobulin-like domains in muscle protein titin)

Comparison

Tensile loading simulations vs Randomly cross-linked chains

Design

Preclinical

Authors

KEKilho EomSungkyunkwan UniversityPLPai-Chi LiNational Taiwan UniversityDMDmitrii E. MakarovThe University of Texas at Austin

Discussion

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Implication

Parallel-strand topologies may optimize polymer toughness; hypothesis-generating for titin-inspired biomaterials pending experimental validation.

Structured PICO

P
Population
Cross-linked polymer chains and protein domains (e.g., immunoglobulin-like domains in muscle protein titin)
E
Exposure
Tensile loading simulations
C
Comparator
Randomly cross-linked chains
O
Outcome
Resistance to unfolding (unfolding work and force)

Simulations reveal that parallel strands in cross-linked polymers and proteins maximize mechanical strength and resistance to unfolding.

Cite This Study

Eom et al. (2003) studied this question. Simulated cross-linked polymer chains with parallel strands vs. Randomly cross-linked chains was evaluated on Resistance to unfolding (unfolding work and force). Simulated cross-linked polymer chains with parallel strands maximized unfolding work and force, unfolding in an all-or-none fashion compared to the sequential unfolding of randomly cross-linked chains.

synapsesocial.com/papers/6aa2055b43c640b0446ee3bbhttps://doi.org/10.1021/jp035178x
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Also Consider

Synapse has enriched 4 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Stretching Single Protein Molecules: Titin Is a Weird Spring1997 · 102 citations
  2. 2Kinetic Monte Carlo simulation of titin unfolding2001 · 68 citations
  3. 3The GB/SA Continuum Model for Solvation. A Fast Analytical Method for the Calculation of Approximate Born Radii1997 · 976 citations
  4. 4All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins1998 · 14,677 citations