1093409-12-1Relevant articles and documents
How much binding affinity can be gained by filling a cavity?
Kawasaki, Yuko,Chufan, Eduardo E.,Lafont, Virginie,Hidaka, Koushi,Kiso, Yoshiaki,Mario Amzel,Freire, Ernesto
experimental part, p. 143 - 151 (2011/02/25)
Binding affinity optimization is critical during drug development. Here, we evaluate the thermodynamic consequences of filling a binding cavity with functionalities of increasing van der Waals radii (-H, -F, -Cl, and CH 3) that improve the geom
