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Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation.

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Title: Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation.
Authors: Alsarra, Ibrahim A.1 (AUTHOR), Kolpe, Mahima Sudhir2,3 (AUTHOR), Islam, Md Ataul2,3 (AUTHOR) ataul.islam@silicoscientia.com
Source: Pharmaceuticals (14248247). Feb2026, Vol. 19 Issue 2, p337. 26p.
Database: Academic Search Ultimate
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  Data: Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation.
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  Data: <searchLink fieldCode="AR" term="%22Alsarra%2C+Ibrahim+A%2E%22">Alsarra, Ibrahim A.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Kolpe%2C+Mahima+Sudhir%22">Kolpe, Mahima Sudhir</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Islam%2C+Md+Ataul%22">Islam, Md Ataul</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<i> ataul.islam@silicoscientia.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Pharmaceuticals+%2814248247%29%22">Pharmaceuticals (14248247)</searchLink>. Feb2026, Vol. 19 Issue 2, p337. 26p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=192034114
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        Value: 10.3390/ph19020337
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        Text: English
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        StartPage: 337
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      – TitleFull: Identification of Novel Extracellular-Signal-Regulated Kinase 2 Inhibitors Through Machine Learning-Driven De Novo Design, Molecular Docking, and Free-Energy Perturbation.
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            NameFull: Alsarra, Ibrahim A.
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            NameFull: Kolpe, Mahima Sudhir
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              Text: Feb2026
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              Y: 2026
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