J. Chem. Inf. Model. 2022, 62, 22, 5568–5580

https://pubs.acs.org/doi/10.1021/acs.jcim.2c00934

Iñigo Iribarren  and  Cristina Trujillo*

Efficiency and Suitability when Exploring the Conformational Space of Phase-Transfer Catalysts