Dr. Gadzikano Munyuki is a Zimbabwean computational chemist specializing in molecular modelling of bioactive compounds and sustainable material innovation. He has a PhD in Chemistry from the University of Cape Town (2013) and postdoctoral training at Uppsala University under the leadership of Professor David van der Spoel, one of the main developers of the GROMACS software package. His research integrates computational chemistry, physical chemistry, drug discovery, and environmental sustainability. His seminal work on tyrocidine antimicrobial peptides (published in Biochemistry, 2013) advanced the understanding of peptide-membrane interactions using NMR-restrained molecular dynamics. As a researcher, he has been involved in multidisciplinary projects as a Principal Investigator or Co-Principal Investigator. These include projects on Drug Design, with a focus on optimization of antimalarial and antitubercular compounds ($150k 2020 – 2021 MMV, TWAS, Grand Challenges Africa Drug Discovery Seed Grants). His research also focuses on Circular Economy, where he has been researching the upscaling of plastic waste into new and innovative products (£961k 2022 SMEP grant) and enzyme-based CO₂ capture technologies ($500k 2022 ARISE grant). Dr. Munyuki actively contributes to the scientific community as a Review Editor for Frontiers in Pharmacology and mentor to more than four postgraduate students. His work bridges computational insights with applications in global health and green technology.