Molecular basis of the recognition of arachidonic acid by cytochrome P450 2E1 along major access tunnel.

Cui, Ying-Lu; Zheng, Qing-Chuan; Zhang, Ji-Long; Zhang, Hong-Xing

Cui, Ying-Lu; Zheng, Qing-Chuan; Zhang, Ji-Long; Zhang, Hong-Xing.

Affiliation

Cui YL; State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, People's Republic of China.

Biopolymers ; 103(1): 53-66, 2015 Jan.

Article in En | MEDLINE | ID: mdl-25257503

Subject(s)

Arachidonic Acid/chemistry; Arachidonic Acid/metabolism; Cytochrome P-450 CYP2E1/chemistry; Cytochrome P-450 CYP2E1/metabolism; Humans; Molecular Dynamics Simulation

Key words

MM-GBSA; access tunnels; cytochrome P450; molecular docking; molecular dynamics; steered molecular dynamic

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Full text: 1 Database: MEDLINE Main subject: Arachidonic Acid / Cytochrome P-450 CYP2E1 Limits: Humans Language: En Year: 2015 Type: Article

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Full text: 1 Database: MEDLINE Main subject: Arachidonic Acid / Cytochrome P-450 CYP2E1 Limits: Humans Language: En Year: 2015 Type: Article