I find large-scale computer systems fascinating. In my computational research, I leveraged high-performance computing on the Digital Research Alliance’s clusters to simulate the protein cancer target Hsp90 via molecular dynamics (MD). Running the MD software suite AMBER introduced me to these systems, but I felt a deeper curiosity towards the workings and design of distributed systems, multithreaded applications, and distributed programs. This curiosity inspired me to make a sharp career pivot into computer science.
I will begin studying computer science at the University of British Columbia (UBC) in September 2023. I recently earned a Bachelor of Science with Honors in biochemistry from the University of Alberta and graduated with highest distinction. I am currently working on implementing transport property analyses in MDAnalysis for Google Summer of Code. My areas of interest are distributed systems, high-performance computing, computational biology, artificial intelligence and machine learning (AI/ML), and cybersecurity.
Research
I took charge of the MD side of our research on the molecular mechanism of the protein cancer target Hsp90 at the Spyracopoulos Lab. I constructed 5 atomic models in PyMOL and conducted extensive classical and steered molecular dynamics (MD) simulations using AMBER for 5 protein mutants: apo and ATP-bound Hsp90 S3CYF N-domains, apo and ATP-bound Hsp90 S3CYF/F6D/F8D N-domains, and intact, ATP-bound Hsp90 S3CYF to investigate the energetic cost of strap release. To validate our experimental NMR data, I calculated predicted parameters from MD data using CPPTRAJ. I also trained 2 undergraduates in computational chemistry.
Our manuscript blending computational MD and experimental NMR was recently submitted, and I will be sure to write an update here when the time comes.