Unusual Conformational-Determining Interactions in Oxymethylpyridines: An Ab Initio Study and an Improved Method for Refining Molecular Mechanics Parameters. - Per-Ola Norrby; Kenneth Wärnmark; Björn Âkermark; Christina Moberg (J. Comput. Chem., 1995)

A comparison of conformational energies calculated by several molecular mechanics methods. - Klaus Gundertofte; Tommy Liljefors; Per-Ola Norrby; Ingrid Pettersson (J. Comput. Chem., 1996)

Conformational energy penalties of protein-bound ligands. - Jonas Boström; Per-Ola Norrby; Tommy Liljefors (J. Comput. Aided Mol. Des., 1998)

Automated molecular mechanics parameterization with simultaneous utilization of experimental and quantum mechanical data. - Per-Ola Norrby; Tommy Liljefors (J. Comput. Chem., 1998)

Investigation of the metal binding site in methionine aminopeptidase by density functional theory. - Anne Techau Jørgensen; Per-Ola Norrby; Tommy Liljefors (J. Comput. Aided Mol. Des., 2002)

Improving the Q2MM method for transition state force field modeling. - Elaine Limé; Per-Ola Norrby (J. Comput. Chem., 2015)

AiZynthTrain: Robust, Reproducible, and Extensible Pipelines for Training Synthesis Prediction Models. - Samuel Genheden; Per-Ola Norrby; Ola Engkvist (J. Chem. Inf. Model., 2023)

Finding Relevant Retrosynthetic Disconnections for Stereocontrolled Reactions. - Olaf Wiest; Christoph Alexander Bauer; Paul Helquist; Per-Ola Norrby; Samuel Genheden (J. Chem. Inf. Model., 2024)