Novel anti-Plasmodial hits identified by virtual screening of the ZINC database. - Grace Mugumbate; Ana S. Newton; Philip J. Rosenthal; Jiri Gut; Rui Moreira; Kelly Chibale; Rita C. Guedes (J. Comput. Aided Mol. Des., 2013)

In silico Comparison of Antimycobacterial Natural Products with Known Antituberculosis Drugs. - Marlene Espinoza-Moraga; Nicholas M. Njuguna; Grace Mugumbate; Julio Caballero; Kelly Chibale (J. Chem. Inf. Model., 2013)

Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual Screening. - Elumalai Pavadai; Farah El Mazouni; Sergio Wittlin; Carmen de Kock; Margaret A. Phillips; Kelly Chibale (J. Chem. Inf. Model., 2016)

The Dynamic Nonprime Binding of Sampatrilat to the C-Domain of Angiotensin-Converting Enzyme. - Rajni K. Sharma; Marlene Espinoza-Moraga; Horacio Poblete; Ross G. Douglas; Edward D. Sturrock; Julio Caballero; Kelly Chibale (J. Chem. Inf. Model., 2016)

3D-QSAR Modeling and Synthesis of New Fusidic Acid Derivatives as Antiplasmodial Agents. - Gurminder Kaur; Elumalai Pavadai; Sergio Wittlin; Kelly Chibale (J. Chem. Inf. Model., 2018)