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蛋白质结构预测 被引量:17
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作者 邓海游 贾亚 张阳 《物理学报》 SCIE EI CAS CSCD 北大核心 2016年第17期169-179,共11页
从氨基酸序列出发预测蛋白质的三维结构是目前计算生物学和生物物理学领域最具挑战性和影响力的研究方向之一.本文从结构预测的研究背景出发,简要介绍了它的理论意义、应用需求及基本现状;并根据结构预测的一般步骤,依次介绍了构象初始... 从氨基酸序列出发预测蛋白质的三维结构是目前计算生物学和生物物理学领域最具挑战性和影响力的研究方向之一.本文从结构预测的研究背景出发,简要介绍了它的理论意义、应用需求及基本现状;并根据结构预测的一般步骤,依次介绍了构象初始化、构象搜索、结构筛选、全原子结构重建、结构优化等基本预测过程;随后分基于模板和无模板两类,各列举了几种具有代表性的结构预测方法;最后对该领域的盛事——国际蛋白质结构预测技术评估大赛(CASP)做了简单介绍. 展开更多
关键词 蛋白质结构预测 同源建模 从头预测 结构优化
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Temperature-induced logical resonance in the Hodgkin–Huxley neuron
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作者 邓海游 桂容 姚元根 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第12期275-280,共6页
Logical resonance has been demonstrated to be present in the Fitz Hugh-Nagumo(FHN)neuron,namely,the FHN neuron can operate as a reliable logic gate within an optimal parameter window.Here we attempt to extend the resu... Logical resonance has been demonstrated to be present in the Fitz Hugh-Nagumo(FHN)neuron,namely,the FHN neuron can operate as a reliable logic gate within an optimal parameter window.Here we attempt to extend the results to the more biologically realistic Hodgkin-Huxley(HH)model of neurons.In general,biological organisms have an optimal temperature at which the biological functions are most effective.In view of this,we examine if there is an optimal range of temperature where the HH neuron can work like a specific logic gate,and how temperature influences the logical resonance.Here we use the success probability P to measure the reliability of the specific logic gate.For AND logic gate,P increases with temperature T,reaches the maximum in an optimal window of T,and eventually decreases,which indicates the occurrence of the temperature-induced logical resonance phenomenon in the HH neuron.Moreover,single and double logical resonances can be induced by altering the frequency of the modulating periodic signal under the proper temperatures,suggesting the appearance of temperature-controlled transition of logical resonance.These results provide important clues for constructing neuron-based energy-efficient new-fashioned logical devices. 展开更多
关键词 stochastic resonance logical stochastic resonance Hodgkin–Huxley neuron TEMPERATURE
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基于迈克尔逊干涉仪和智能手机定量测量溶液折射率 被引量:10
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作者 袁浩洋 谈浩 +6 位作者 李英豪 谌利 朱丽颖 刘泉 邓海游 刘宁亮 易伟松 《大学物理实验》 2022年第3期94-98,共5页
测量溶液折射率具有重要的理论和实际意义。文章基于迈克尔逊干涉仪和智能手机研究透明液体折射率测量装置和方法,并应用于食盐和蔗糖溶液折射率的定量测量。实验结果表明,在最佳工作角度时,该测量装置和方法能够定量测量透明液体折射率... 测量溶液折射率具有重要的理论和实际意义。文章基于迈克尔逊干涉仪和智能手机研究透明液体折射率测量装置和方法,并应用于食盐和蔗糖溶液折射率的定量测量。实验结果表明,在最佳工作角度时,该测量装置和方法能够定量测量透明液体折射率,测量装置性能稳定,测量方法精度较高,食盐和蔗糖溶液折射率测量百分偏差分辨为3%和2%左右。采用智能手机光学传感器及免费应用程序—Phyphox,代替人眼读取激光干涉条纹变化情况,不仅解决了传统迈克尔逊干涉实验人眼读数的痛点,还提高了实验客观性和准确性。实验研究有助于拓展迈克尔逊干涉仪和智能手机在物理教学和研究中的应用领域,加深学生对波动光学和双光束干涉的理解和认识。 展开更多
关键词 迈克尔逊干涉仪 智能手机 折射率 测量装置 测量方法
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Effects of Mg2+ on the binding of the CREB/CRE complex:Full-atom molecular dynamics simulations
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作者 毛松 王帅 +1 位作者 邓海游 易鸣 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第7期542-548,共7页
Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DN... Metal ions play critical roles in the interaction between deoxyribonucleic acid(DNA) and protein.The experimental research has demonstrated that the Mg^2+ ion can affect the binding between transcription factor and DNA.In our work,by full-atom molecular dynamic simulation, the effects of the Mg^2+ ion on the cyclic adenosine monophosphate(cAMP)response element binding protein(CREB)/cAMP response elements(CRE) complex are investigated.It is illustrated that the number of hydrogen bonds formed at the interface between protein and DNA is significantly increased when the Mg^2+ ion is added.Hence, an obvious change in the structure of the DNA is observed.Then the DNA base groove and base pair parameters are analyzed.We find that, due to the introduction of the Mg2+ ion, the DNA base major groove becomes narrower.A potential mechanism for this observation is proposed.It is confirmed that the Mg^2+ ion can enhance the stability of the DNA–protein complex. 展开更多
关键词 cAMP response element BINDING protein(CREB) molecular dynamics(MD) simulation hydrogen BOND Mg2+ ion
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