Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.
Shunzhou WanAgastya P. BhatiDavid W. WrightIan D. WallAlan P. GravesDarren V. S. GreenPeter V. CoveneyPublished in: J. Chem. Inf. Model. (2022)