| Molecular Dynamics Simulation on Charge Transfer Relaxation between Myoglobin and Water |
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| 引用本文： | 程伟 张丰收 张博洋 周宏余. Molecular Dynamics Simulation on Charge Transfer Relaxation between Myoglobin and Water[J]. 中国物理快报, 2007, 24(12): 3489-3491 |
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| 作者姓名： | 程伟 张丰收 张博洋 周宏余 |
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| 作者单位： | Key Laboratory in University for Radiation Beam Technology and Materials Modification, Institute or Low I~nergy Nuclear Physics, Beijing Normal University, Beijing 100875 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant Nos 10575012 10435020 and 14075009, Beijing Education Committee under Grant No XK100270454 , and the Science Foundation of Beijing Normal University. |
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| 摘 要： |
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| 关 键 词： | 分子 动态模拟 松弛 肌红蛋白 |
| 收稿时间： | 2007-09-11 |
Dynamics Simulation on Charge Transfer Relaxation between Myoglobin and Water |
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| CHENG Wei,ZHANG Feng-Shou,ZHANG Bo-Yang,ZHOU Hong-Yu. Dynamics Simulation on Charge Transfer Relaxation between Myoglobin and Water[J]. Chinese Physics Letters, 2007, 24(12): 3489-3491 |
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| Authors: | CHENG Wei ZHANG Feng-Shou ZHANG Bo-Yang ZHOU Hong-Yu |
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| Affiliation: | Key Laboratory in University for Radiation Beam Technology and Materials Modification, Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875 |
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| Abstract: | Dynamical processes of myoglobin after photon-excited charge transfer between Fe ion and surrounding water anion are simulated by a molecular dynamics model. The roles of Coulomb interaction effect and water effect in the relaxation process are discussed. It is found that the relaxations before and after charge transfer are similar. Strong Coulomb interactions and less water mobility decrease Coulomb energy fluctuations. An extra transferred charge of Fe ion has impact on water packing with a distance up to 0.86nm. |
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| Keywords: | 61.43.Bn 34.30.+h 87.15.Ya |
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