Comparison of ATP binding sites using structure-based similarity methods and molecular interaction fields. - Jan Dreher; Knut Baumann (J. Cheminformatics, 2011)

xMaP - An Interpretable Alignment-Free Four-Dimensional Quantitative Structure-Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles. - Jan Dreher; Josef Scheiber; Nikolaus Stiefl; Knut Baumann (J. Chem. Inf. Model., 2018)