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)

Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. - Kara J. Cutrona; Ana S. Newton; Stefan G. Krimmer; Julian Tirado-Rives; William L. Jorgensen (J. Chem. Inf. Model., 2020)