Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series. - Richard S. Hong; Alessandra Mattei; Ahmad Y. Sheikh; Rajni Miglani Bhardwaj; Michael A. Bellucci; Keith F. McDaniel; M. Olivia Pierce; Guangxu Sun; Sizhu Li; Lingle Wang; Sayan Mondal; Jianguo Ji; et al. (J. Chem. Inf. Model., 2021)