Danial Gharaie Amirabadi

I am a Pharm.D student and a Research Associate at Neurosnap, working at the edge of pharmaceutical sciences, computational biology, and bioinformatics.

My interests center on computational drug discovery, protein design, molecular docking, and virtual screening. Lately I have been thinking most about antifungal discovery and fungal Hsp90: how different docking engines disagree, what that disagreement can tell us, and how screening pipelines can preserve useful uncertainty instead of discarding it too early.

I also work on making bioinformatics tools and workflows easier to use, with a practical focus on Python, Julia, Docker, machine learning, and AI-assisted research tooling. Outside formal research, I have led student research and technology activities, edited student scientific writing, and built small tools around computational biology workflows.

This site is my research notebook. I use it to think through docking workflows, machine-learning ideas, decision systems, and unfinished questions that sit between pharmaceutical sciences, computation, and philosophy of science.