Machine Learning-Based Virtual Screening and Molecular Simulation Approaches Identified Novel Potential Inhibitors for Cancer Therapy

Machine Learning-Based Virtual Screening and Molecular Simulation Approaches Identified Novel Potential Inhibitors for Cancer Therapy

Cyclin-dependent kinase 2 (CDK2) is a promising target for cancer treatment, developing new effective CDK2 inhibitors is of great significance in anticancer therapy. The involvement of CDK2 in tumorigenesis has been debated, but recent evidence suggests that specifically inhibiting CDK2 could be ben...

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Bibliographic Details
Main Authors:	Muhammad Shahab, Guojun Zheng, Abbas Khan, Dongqing Wei, Alexander S. Novikov
Format:	Article
Language:	English
Published:	MDPI AG 2023-08-01
Series:	Biomedicines
Subjects:	CDK2 machine learning virtual screening molecular docking MD simulation
Online Access:	https://www.mdpi.com/2227-9059/11/8/2251

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