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Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding

TitleParadoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding
Publication TypeJournal Article
Year of Publication2018
AuthorsWienen-Schmidt B, Jonker HRA, Wulsdorf T, Gerber H-D, Saxena K, Kudlinzki D, Sreeramulu S, Parigi G, Luchinat C, Heine A, Schwalbe* H, Klebe* G
JournalJ. Med. Chem.