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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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  Data: 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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  Data: <searchLink fieldCode="AR" term="%22Zhang%2C+Jian%22">Zhang, Jian</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhang%2C+Beibei%22">Zhang, Beibei</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Feng%2C+Haisong%22">Feng, Haisong</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> fenghaisong1986@163.com</i><br /><searchLink fieldCode="AR" term="%22Sheng%2C+Chongxiao%22">Sheng, Chongxiao</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> chongsheng996@gmail.com</i>
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  Data: <searchLink fieldCode="JN" term="%22PLoS+ONE%22">PLoS ONE</searchLink>. 5/14/2026, Vol. 21 Issue 5, p1-20. 20p.
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        Value: 10.1371/journal.pone.0346627
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        Text: English
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      – TitleFull: 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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              Text: 5/14/2026
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