M, D., Abdullah, M., Saxena, S., & Guruprasad, L. (2018). Inhibitor Binding Studies of Mycobacterium tuberculosis MraY (Rv2156c): Insights from Molecular Modeling, Docking and Simulation Studies. Journal of Biomolecular Structure & Dynamics, 1-33. https://doi.org/10.1080/07391102.2018.1526715 (Original work published 2018)

Saxena, S., Durgam, L., & Guruprasad, L. (2019). Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH). Journal of Biomolecular Structure & Dynamics, 37(7), 1783-1799. https://doi.org/10.1080/07391102.2018.1471417

Saxena, S., Abdullah, M., Sriram, D., & Guruprasad, L. (2018). Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations. Journal of Biomolecular Structure & Dynamics, 36(12), 3184-3198. https://doi.org/10.1080/07391102.2017.1384398