Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction. - Qin Wang 010; Simone Sciabola; Gabriela Barreiro; Xinjun Hou; Guoyun Bai; Michael J. Shapiro; Frank Koehn; Anabella Villalobos; Matthew P. Jacobson (J. Chem. Inf. Model., 2016)

Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability. - Qingyi Yang; Woodrow Burchett; Gregory S. Steeno; Shuai Liu; Mingjun Yang; David L. Mobley; Xinjun Hou (J. Comput. Chem., 2020)