Development of polyphosphate parameters for use with the AMBER force field. - Kristin L. Meagher; Luke T. Redman; Heather A. Carlson (J. Comput. Chem., 2003)

Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design. - Michael G. Lerner; Kristin L. Meagher; Heather A. Carlson (J. Comput. Aided Mol. Des., 2008)