August 31, 2005Proceedings of the National Academy of SciencesOpen Access

Allostery of actin filaments: Molecular dynamics simulations and coarse-grained analysis

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Population

Molecular dynamics simulation models of monomeric actin, trimer nucleus, and actin filaments in ATP-bound…

Design

Preclinical

Authors

JCJhih‐Wei ChuNational Yang Ming Chiao Tung University GVGregory A. VothFlorida State University

Discussion

Member takes

Implication

No clinical implications yet; leaves open how ADP-state actin disorder affects cardiac mechanics.

Structured PICO

Population

Molecular dynamics simulation models of monomeric actin (G-actin), trimer nucleus, and actin filaments (F-actins) in ATP-bound and ADP-bound states.

Intervention

Molecular dynamics simulations and coarse-grained analysis evaluating the effect of the DNase I-binding loop (DB loop) conformation (loop in ATP state vs. alpha-helix in ADP state).

Outcome

Structural and mechanical properties of actin assemblies, including persistence length, intermonomer interactions, and filament dimensions.

Molecular dynamics simulations reveal that the loop-to-helix transition of the DB loop upon ATP hydrolysis alters the structural and mechanical properties of actin filaments.

Limitations

Only 13 monomers were included in the simulation of F-actin, which may cause an overestimation of the repeat length due to excluded long wavelength undulations.

Cite This Study

Chu et al. (2005) studied this question.

synapsesocial.com/papers/6a749e956a5eb4b8f50919bb https://doi.org/10.1073/pnas.0503732102

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Allostery of actin filaments: Molecular dynamics simulations and coarse-grained analysis

Discussion

Member takes

Implication

Structured PICO

Limitations

Cite This Study

Allostery of actin filaments: Molecular dynamics simulations and coarse-grained analysis

Discussion

Member takes

Implication

Structured PICO

Limitations

Cite This Study

Also Consider

Also Consider