Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites. - Philipp Pracht; Christoph Alexander Bauer; Stefan Grimme (J. Comput. Chem., 2017)

High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge. - Philipp Pracht; Rainer Wilcken; Anikó Udvarhelyi; Stephane Rodde; Stefan Grimme (J. Comput. Aided Mol. Des., 2018)

Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions. - Philipp Pracht (J. Chem. Inf. Model., 2025)