Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.

Shan Sun Makoto Fushimi Thomas Rossetti Navpreet Kaur Jacob Ferreira Michael Miller Jonathan Quast Joop van den Heuvel Clemens Steegborn Lonny R. Levin Jochen Buck Robert W. Myers Stacia Kargman Nigel Liverton Peter T. Meinke David J. Huggins

Published in: J. Chem. Inf. Model. (2023)

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