SAMPL6 host-guest challenge: binding free energies via a multistep approach. - Yigitcan Eken; Prajay Patel; Thomas Díaz; Michael R. Jones; Angela K. Wilson (J. Comput. Aided Mol. Des., 2018)

SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics. - Yigitcan Eken; Nuno M. S. Almeida; Cong Wang; Angela K. Wilson (J. Comput. Aided Mol. Des., 2021)