一個二維半柔性生物高分子模型的基本物理性質

戴偉帆

doi:10.6846/TKU.2011.00276

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一個二維半柔性生物高分子模型的基本物理性質

Basic physical properties of a model for two-dimensional semiflexible biopolymer

戴偉帆 , Masters　　Advisor：周子聰　　

繁體中文 DOI： 10.6846/TKU.2011.00276

半柔性生物高分子；計算機模擬；分子結構； semiflexible biopolymers ； computer simulation ； configurations

Abstract │ Reference (32) │ Times Cited (2) │ Altmetrics

Abstract 〈TOP〉

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Using Brownian dynamics, we study the basic physical properties of a new model for two-dimensional semiflexible biopolymers at finite temperature. The new model adopts a new nearest neighbor interaction. The new potential has stronger constraint on the distances between nearest monomers, therefore may provide a better approximation to the biopolymers with covalent-bond between the nearest-neighbor monomers.
This work focuses on the testing and modifying the new program, and has not yet considered the influences of the external force and the intrinsic curvatures. By monitoring some quantities in simulation, we find the proper simulation parameters (the time step, total simulation time and number of samples) in the temperature range (0.01, 0.2) for our system (a chain of monomers). We find that the mean x-coordinate of the end particle, the mean end-to-end distance and the mean radius of gyration decrease with increasing temperature. These results agree with the well known fact that the entropy dominates the behavior of the biopolymers at normal temperature, and provide evidences for the correctness of the program. We also find that the radius of gyration of the chain has abnormal behavior, but the origin of the abnormal behavior is still unclear so requires a further investigation. Moreover, our results indicate that there is linear relation between the mean end-to-end distance and the mean radius of gyration, and the proportional constant increases slowly with increasing temperature.

Reference ( 32 ) 〈TOP〉

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[11] D. Bensimon, D. Dohmi, and M. Mezard, Europhys. Lett. 42,97(1998)
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