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

✍ Scribed by Lee, Hsing-Chou; Hsu, Wen-Chi; Liu, An-Lun; Hsu, Chia-Jen; Sun, Ying-Chieh

• Book ID: 125431305
• Publisher: Elsevier Science
• Year: 2014
• Tongue: English
• Weight: 907 KB
• Volume: 51
• Category: Article
• ISSN: 1093-3263
• DOI: 10.1016/j.jmgm.2014.04.010