Molecular Docking
Ever wonder why French press raises cholesterol but filtered coffee doesn't? We zoomed into the receptor level to find out. The answer involves two molecules and a paper filter.
We are Coffee Science Lab — a group of coffee lovers from the team at aixcbio.com. We use the same computational tools that discover new medicines to explore what happens in your cup — molecule by molecule. Come explore with us.
Molecular docking · Network pharmacology · Quantum chemistry · All applied to the world's favorite beverage.
Ever wonder why French press raises cholesterol but filtered coffee doesn't? We zoomed into the receptor level to find out. The answer involves two molecules and a paper filter.
Your morning cup isn't a single drug — it's a symphony. We mapped how six coffee compounds talk to ten protein targets at once. The network is beautiful, and surprisingly elegant.
When a green bean turns brown, electrons rearrange. We used quantum chemistry to watch the Maillard reaction unfold — and discovered a 75-125× bottleneck that explains the roaster's "development phase."
We are a group of coffee lovers from the team at aixcbio.com who saw an opportunity: nobody was applying computational drug discovery tools to the world's most consumed beverage. There are 1,000+ compounds in every cup, and the scientific community was studying them one at a time. We knew computational approaches could reveal the whole picture — the networks, the binding, the quantum chemistry of flavor. That's how Coffee Science Lab was born.
Our goal is simple: make coffee science accessible to everyone. Whether you're a barista, a chemistry student, or just someone who's curious about what's really in your cup — this research is for you.
Our Story & the Lab