SAMPL7 Host-Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations. - Martin Amezcua; Lea El-Khoury; David L. Mobley (J. Comput. Aided Mol. Des., 2021)

An overview of the SAMPL8 host-guest binding challenge. - Martin Amezcua; Jeffry Setiadi; Yunhui Ge; David L. Mobley (J. Comput. Aided Mol. Des., 2022)

Application, assessment, and advancing binding free energy predictions for computer aided drug design and discovery - Martin Amezcua (2024)