Maaged Abdullah

Discovery of novel inhibitors of Mycobacterium tuberculosis MurG: homology modelling, structure based pharmacophore, molecular docking, and molecular dynamics simulations

D. Sriram, L. Guruprasad, Shalini Saxena, 2018, Journal of biomolecular structure & dynamics.

Computational fragment-based design of Wee1 kinase inhibitors with tricyclic core scaffolds

L. Guruprasad, Maaged Abdullah, 2018, Structural Chemistry.

Computational basis for the design of PLK-2 inhibitors

L. Guruprasad, Maaged Abdullah, 2019, Structural Chemistry.

Inhibitor binding studies of Mycobacterium tuberculosis MraY (Rv2156c): Insights from molecular modeling, docking, and simulation studies

L. Guruprasad, Shalini Saxena, Maaged Abdullah, 2019, Journal of biomolecular structure & dynamics.

Insights into the carbonic anhydrases and autotrophic carbon dioxide fixation pathways of high CO2 tolerant Rhodovulum viride JA756.

L. Guruprasad, Maaged Abdullah, T. Lodha, 2018, Microbiological research.

Structural insights into the inhibitor binding and new inhibitor design to Polo-like kinase-1 Polo-box domain using computational studies

L. Guruprasad, Maaged Abdullah, 2018, Journal of biomolecular structure & dynamics.

Identification of 3D motifs based on sequences and structures for binding to CFI‐400945, and deep screening‐based design of new lead molecules for PLK‐4

L. Guruprasad, Maaged Abdullah, 2021, Chemical biology & drug design.