Exploring Ruthenium-based organometallic inhibitors against Plasmodium Calcium Dependent Kinase 2 (PfCDPK2): a combined ensemble docking, QM paramterization and molecular dynamics study
D. D. Patel, M. Athar, P. C. Jha
This study uses computational methods to evaluate ruthenium-based organometallic inhibitors against PfCDPK2, finding E52 and FLL have better affinity than staurosporine.
bioRxiv · Mar 31, 2020Biochemistry