The conformational dynamics of wing gates Ile199 and Phe103 on the binding of dopamine and benzylamine substrates in human monoamine Oxidase B

被引:6
作者
Dasgupta, Subrata [1 ]
Mukherjee, Soumita [1 ]
Sekar, Kanakaraj [2 ]
Mukhopadhyay, Bishnu Prasad [1 ]
机构
[1] Natl Inst Technol Durgapur, Dept Chem, Durgapur 713209, W Bengal, India
[2] Indian Inst Sci Bangalore, Dept Computat & Data Sci, Lab Struct Biol & Biocomp, Bangalore, Karnataka, India
关键词
MOLECULAR-DYNAMICS; FORCE-FIELD; MECHANISM; INHIBITION; SIMULATION; INSIGHTS; MODEL; SITE;
D O I
10.1080/07391102.2020.1734483
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:1879 / 1886
页数:8
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