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*

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

Fingerprint

Dive into the research topics of 'Using thermodynamic integration MD simulation to compute relative protein-ligand binding free energy of a GSK3β kinase inhibitor and its analogs'. Together they form a unique fingerprint.

INIS

Biochemistry, Genetics and Molecular Biology

Pharmacology, Toxicology and Pharmaceutical Science