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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Bibliographic Details
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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