Penny P. Govender

Charge transport, interfacial interactions and synergistic mechanisms in BiNbO/MWO (M = Zn and Cd) heterostructures for hydrogen production: insights from a DFT+U study.

The effects of two-dimensional TiSe on the thermoelectric, electronic and optical response of YbMnSb/AlSbYb heterostructures - A theoretical study.

High-Throughput 2D Heteroatom Graphene Bioelectronic Nanosculpture: A Combined Experimental and Theoretical Study.

Computational investigation of the binding characteristics of β-amyloid fibrils.

Evaluating Iso-Mukaadial Acetate and Ursolic Acid Acetate as Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase Inhibitors.

Highly Selective and Sensitive Detection of Formaldehyde by β-Borophene/SnO Heterostructures: The Role of an External Electric Field and In-Plain Biaxial Strain.

Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules.

SF decomposed gas sensing performance of van der Waals layered cobalt oxyhydroxide: insights from a computational study.

Developing a simple box-behnken experimental design on the removal of doxorubicin anticancer drug using FeO/graphene nanoribbons adsorbent.

Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics.

Exploiting the glycan receptor-binding site of PltB subunit in salmonella typhi toxin for novel inhibitors: An in-silico approach.

Composite 2D Nanointerfaces for Electrochemical Biosensing: An Experimental and Theoretical Study.

Imidazolium-Quaternized Poly(2,6-Dimethyl-1,4-Phenylene Oxide)/Zeolitic Imidazole Framework-8 Composite Membrane as Polymer Electrolyte for Fuel-Cell Application.

Exploring indigenous freshwater chlorophytes in integrated biophotovoltaic system for simultaneous wastewater treatment, heavy metal biosorption, CO biofixation and biodiesel generation.

Assessment of Drimia delagoensis (Jessop) Baker Total Phenol, Flavonoids Content and Antioxidant Activity of Both Bulb and Leaves.

In silico exploration of natural xanthone derivatives as potential inhibitors of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) replication and cellular entry.