GPU-Powered, Rapid and Accessible Docking Score Prediction with Multilayer Ultralarge Screening Exploration Platform 2.0

Optical reporting for quinazoline based anticancer drugs (EGFR-TKIs)

Development of sustainable aviation fuels from renewable sources

Techno-economic analysis (TEA) in production of biohydrogen and biomethane and biogas resources.

Density Functional Theory (DFT) Study of the Corrosion Mechanism of Steel Sheets under Moist Conditions

Techno-economic and life cycle assessment for renewable green fuels

Virtual screening to identify selective SIRT1/SIRT6 modulators

Computational Investigation of High-Energy-Density Sustainable Aviation Fuels from Polycycloalkanes

Techno-economic Analysis of Liquid Organic Hydrogen Carriers (LOHC)

In Silico Study of the Effect of Halogen Substitution on 4-Anilinoquinazoline-Based EGFR Tyrosine Kinase Inhibitors

Synergistic removal of CO and NO from flue gas based on CO-SCR technology

IN SILICO NASOPHARYNGEAL CARCINOMA THERAPEUTICS VIA TARGETING THE NF-KB SIGNALLING PATHWAY

Investigation into the Interface of Organic and Inorganic Materials for the Optimisation of Electrochemical Reactions

Morphology control of nanocatalysts for clean energy generation

Computational Design of Carbon Based 2D Catalytic Materials for Clean Energy Applications

Structure and dynamics of some anti-cancer drugs using spectroscopy and theoretical chemistry

A density functional theory supported spectroscopic analysis of a dual p38a MAPK/PDE-4 inhibitor (CBS3595)

ENGINEERED MANGANESE OXIDE NANOMATERIALS FOR THE CONTROL OF OXYGEN- FROM CATALYSTS TO BIOLOGY

Engineering Polydopamine as a Novel Drug Delivery Nanocarrier

Spectroscopic and Theoretical Studies of Two Anticancer Compounds

Intramolecular interaction of isolated molecules and their interactions with metal surfaces.

Spectroscopy and Electronic Structure of Biomolecular Isomers

Spectroscopic Study and Rational Design for Functional Organic Compounds

Computational study of compounds with application in dye sensitized solar cells

Quantum Mechanical Applications in Spectroscopy and Computational Drug Design