Using thermodynamic integration MD simulation to compute relative protein-ligand binding free energy of a GSK3β kinase inhibitor and its analogs

Hsing Chou Lee, Wen Chi Hsu, An Lun Liu, Chia Jen Hsu, Ying Chieh Sun*

*此作品的通信作者

研究成果: 雜誌貢獻 › 期刊論文 › 同行評審

29 引文 斯高帕斯（Scopus）

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INIS

Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science