Molecular dynamics simulation on charge transfer relaxation between myoglobin and water

被引：0

作者：

Cheng Wei ^{[1
]}

Zhang Feng-Shou ^{[1
]}

Zhang Bo-Yang ^{[1
]}

Zhou Hong-Yu ^{[1
]}

机构：

[1] Beijing Normal Univ, Inst Low Energy Nucl Phys, Key Lab Univ Radiat Beam Technol & Mat Modificat, Beijing 100875, Peoples R China

来源：

CHINESE PHYSICS LETTERS | 2007年 / 24卷 / 12期

关键词：

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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 0.86 nm.

引用

页码：3489 / 3491

页数：3

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