尿素和二甲基亚砜诱导DhaA变性的分子动力学模拟
郑禾1(
),杨盛江2,郑永超1,崔燕1,郭旋1,钟近艺1(),周健2()
),杨盛江2,郑永超1,崔燕1,郭旋1,钟近艺1(),周健2()
Molecular dynamics simulation of denaturation of DhaA induced by urea and dimethyl sulfoxide
He ZHENG1(),Shengjiang YANG2,Yongchao ZHENG1,Yan CUI1,Xuan GUO1,Jinyi ZHONG1(),Jian ZHOU2()
),Shengjiang YANG2,Yongchao ZHENG1,Yan CUI1,Xuan GUO1,Jinyi ZHONG1(),Jian ZHOU2()
图6. DhaA在不同模拟体系中的催化位点3.5 ?内溶剂分子分布（蓝色珠子代表水分子，红色珠子代表尿素分子，绿色珠子代表DMSO分子）
Fig.6. Snapshots of solution molecules distribution within 3.5 ? around catalytic sites in DhaA in different simulation systems
(blue beads represent water molecules, red beads represent urea molecules, green beads represent DMSO molecules)
