Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules | The Journal of Physical Chemistry A
Novel Prodrug Structures for Improved Drug Delivery
Frontiers | Improving Docking Performance Using Negative Image-Based Rescoring
Trapotsi_PhDThesis copy
Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking | Journal of Chemical Information and Modeling