Performance of protein-ligand docking with CDK4/6 inhibitors: a case study

DOI10.3934/MBE.2021025zbMath1471.92127OpenAlexW3113038228MaRDI QIDQ1980088

Yunjie Zhao, Jinxuan Hou, Linlu Song, Shangbo Ning

Publication date: 3 September 2021

Published in: Mathematical Biosciences and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.3934/mbe.2021025

zbMATH Keywords

breast cancerscoring functionprotein-ligand dockingCDK4/6 inhibitormulti-source informationstructure sampling

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Pathology, pathophysiology (92C32)

Uses Software

• CHARMM
• AS 136

Cites Work

• Algorithm AS 136: A K-Means Clustering Algorithm

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