Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches. - Phillip S. Hudson; Félix Aviat; Rubén Meana-Pañeda; Luke C. Warrensford; Benjamin C. Pollard; Samarjeet Prasad; Michael R. Jones; H. Lee Woodcock III; Bernard R. Brooks (J. Comput. Aided Mol. Des., 2022)

CIFDock: A novel CHARMM-based flexible receptor-flexible ligand docking protocol. - Sai Lakshmana Vankayala; Luke C. Warrensford; Amanda R. Pittman; Benjamin C. Pollard; Fiona L. Kearns; Joseph D. Larkin; H. Lee Woodcock III (J. Comput. Chem., 2022)