In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations.

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Title: In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations.
Authors: Zhang, Jian1,2 (AUTHOR), Zhang, Beibei1,2 (AUTHOR), Feng, Haisong1,2 (AUTHOR) fenghaisong1986@163.com, Sheng, Chongxiao1,2 (AUTHOR) chongsheng996@gmail.com
Source: PLoS ONE. 5/14/2026, Vol. 21 Issue 5, p1-20. 20p.
Database: Academic Search Ultimate
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ISSN:19326203
DOI:10.1371/journal.pone.0346627