Author: Yan Li; Jinyong Zhang; Ning Wang; Haibo Li; Yun Shi; Gang Guo; Kaiyun Liu; Hao Zeng; Quanming Zou
Title: Therapeutic Drugs Targeting 2019-nCoV Main Protease by High-Throughput Screening Document date: 2020_1_29
ID: iu2ziccm_11
Snippet: The AutoDock vina was obtained from website of scripps.edu [6] . The crystal structure of main protease monomer (PDB id: 5n5o) was used as target protein after removing the unrelated complex molecule by AutoDockTools. The receptor was prepared by removing water, adding hydrogen and computing charges. The binding coordinates were located by Grid box including the cave near N-terminal and the joint groove of dimer. Autodocking was performed by usin.....
Document: The AutoDock vina was obtained from website of scripps.edu [6] . The crystal structure of main protease monomer (PDB id: 5n5o) was used as target protein after removing the unrelated complex molecule by AutoDockTools. The receptor was prepared by removing water, adding hydrogen and computing charges. The binding coordinates were located by Grid box including the cave near N-terminal and the joint groove of dimer. Autodocking was performed by using multithread tasks by our in-house script, and potential molecules were screening out by a Perl program author/funder. All rights reserved. No reuse allowed without permission.
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