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5. Molecular dynamics simulation of the A-DNA to B-DNA transition in aqueous RbCI solution

Molecular dynamics simulation of the A-DNA to B-DNA transition in aqueous RbCI solution

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：hongnanjing

【摘 要】

：

Unrestrained molecular dynamics (MD) simulations have been carried out to characterize the stability of DNA conformations and the dynamics of A-DNA→B-DNA confo

【作 者】

：

YU YangXin FUJIMOTO Shintaro 

【机 构】

：

LaboratoryofChemicalEngineeringThermodynamics

【出 处】

：

中国科学：化学英文版

【发表日期】

：

2013年4期

【关键词】

：

分子动力学模拟 DNA构象 水溶液 B型 B-DNA 构象转变 浓度增加 MD模拟 DNA conformational transition  molecul 

【基金项目】

：

We would like to acknowledge Yong-Jun Du for her effort in preparing the manuscript. The authors greatly appreciate the financial support from the National Natural Science Foundation of China （2117613

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论文部分内容阅读

Unrestrained molecular dynamics (MD) simulations have been carried out to characterize the stability of DNA conformations and the dynamics of A-DNA→B-DNA conformational transitions in aqueous RbCl solutions. The PARM99 force field in the AMBER8 package wa

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