Jeffrey S. Tan

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

Graeme M. Day, Timothy G. Cooper, Aurora J. Cruz‐Cabeza et al. · Acta Crystallographica Section B Structural Science · 2009 · 446 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +14

Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes

Rui Sun, James F. Dama, Jeffrey S. Tan et al. · Journal of Chemical Theory and Computation · 2016 · 70 citations

Natural Sciences, Biophysics, Medicinal Chemistry +17

Molecular transport through membranes: Accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants

Rui Sun, Yining Han, Jessica M. J. Swanson et al. · The Journal of Chemical Physics · 2018 · 63 citations · Full text

Natural Sciences, Biophysics, Pharmacology +17

Effect of gastric pH on the pharmacokinetics of a bcs class II compound in dogs: Utilization of an artificial stomach and duodenum dissolution model and gastroplus,™ simulations to predict absorption

Shobha Bhattachar, E.J. Perkins, Jeffrey S. Tan et al. · Journal of Pharmaceutical Sciences · 2011 · 61 citations

Pharmacy, Pharmacokinetics, Pharmacology +16