Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase. - Richard J. Hall; Sally A. Hindle; Neil A. Burton; Ian H. Hillier (J. Comput. Chem., 2000)

Flexible docking under pharmacophore type constraints. - Sally A. Hindle; Matthias Rarey; Christian Buning; Thomas Lengauer (J. Comput. Aided Mol. Des., 2002)

Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments. - Andrew C. Good; Mark A. Hermsmeier; Sally A. Hindle (J. Comput. Aided Mol. Des., 2004)

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. - Nadine Schneider; Sally A. Hindle; Gudrun Lange; Robert Klein; Jürgen Albrecht; Hans Briem; Kristin Beyer; Holger Claußen 002; Marcus Gastreich; Christian Lemmen; Matthias Rarey (J. Comput. Aided Mol. Des., 2012)

A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function. - Nadine Schneider; Gudrun Lange; Sally A. Hindle; Robert Klein; Matthias Rarey (J. Comput. Aided Mol. Des., 2013)