STUDENT RESEARCHER  ·  AI × BIOLOGY

Decoding the undruggable.
Building the tools that find what others miss.

Hi, I'm Nimit Akhawat — a student researcher working at the intersection of AI in drug discovery, neuroscience, and biochemistry. I build computational tools and run experiments aimed at turning hard biological questions into tractable, data-driven ones.

MISSION

To make the next generation of medicines reachable — by using artificial intelligence to illuminate the dynamic, "invisible" structures of disease-driving proteins, and to connect the molecular world of chemistry with the living systems of the brain.

Explore my research → Collaborate with me
AI in Drug Discovery Intrinsically Disordered Proteins Neuroscience Optogenetics Biochemistry Machine Learning
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Research & Projects

Computational and experimental work spanning drug discovery, neuroscience, and the chemistry that links them.

● Live · v0.1.0 Neuroscience × Machine Learning

Aperion — Cross-Hospital EEG for Parkinson's

An open-source Python package I built for honest, leakage-safe resting-state EEG analysis. It classifies Parkinson's disease vs. healthy controls from brain activity — and, crucially, keeps working on hospitals it has never seen. Aperion separates the aperiodic 1/f background from oscillatory peaks (FOOOF), harmonizes away site-specific effects, and is validated leave-one-dataset-out across three hospital cohorts — with built-in leakage and hospital-probe controls so the results stay trustworthy rather than over-claimed.

EEG Parkinson's Aperiodic 1/f Domain Adaptation FOOOF scikit-learn · MNE
View on PyPI →    Source on GitHub ↗
● Published Neuroscience × Chemistry

Chemical Techniques in Optogenetics

A review of how synthetic and biochemical chemistry is expanding the optogenetics toolkit — from engineered photoswitchable ligands to chemically caged neurotransmitters — and how these advances give researchers finer, light-controlled command over neural circuits. The work bridges molecular design and systems neuroscience.

Optogenetics Photopharmacology Neural Circuits
Read the published article →
● Ongoing Interest Neuroscience & ML

Modeling the Brain's Dynamics

Exploring how machine-learning methods can capture brain-wave patterns and neural signaling — and how the same representational ideas that power protein modeling might illuminate neuroscience. An evolving line of inquiry rather than a single project.

Brain Waves Representation Learning Signal Modeling
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Articles & Review Papers

Peer-reviewed publications and review articles, with summaries and links.

Review Article International Journal of Advanced Research (IJAR)

Advancing Neuroscience Through Chemical Techniques in Optogenetics

This review examines how chemistry is reshaping optogenetics — the technique of using light to control genetically targeted neurons. It surveys photoswitchable and photo-caged molecular tools, the design principles behind light-responsive ligands, and how these chemical strategies extend optogenetic control beyond classical opsins. The result is a clearer picture of how molecular-level innovation translates into more precise interrogation of neural circuits and, ultimately, new avenues for studying brain function and neurological disease.

Read article ↗ Download PDF ↓
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Main Research Goal

AI in drug discovery & development — my central focus.

Making the "undruggable" reachable.

A large share of the proteins that drive devastating diseases — many neurodegenerative disorders among them — are intrinsically disordered. They flicker between countless shapes instead of settling into one, so the standard drug-discovery playbook of "find the rigid pocket, fit a molecule into it" simply doesn't apply. These targets get labeled undruggable not because binding is impossible, but because our tools were built for a more static world.

My goal is to change which targets count as reachable. I'm developing AI-driven methods that treat a protein as the moving, breathing ensemble it actually is — learning the structural signatures that precede a transient pocket, and scoring where and when a drug might grab hold — turning today's "undruggable" targets into tomorrow's therapeutic starting points.

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Interest

The interface where machine learning meets structural biology — using data to model molecular motion, predict binding behavior, and reason about chemistry the way an experimentalist would.

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Goals

Build validated, benchmarked tools that surface cryptic and transient binding sites; make them open and explorable so other researchers can act on them; and ground every prediction in experimental reality.

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Vision

A future where disordered, dynamic proteins are routine drug targets — and where AI accelerates the path from a disease-linked protein to a credible therapeutic starting point.

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Blog

Notes on neuroscience, machine learning, chemistry, and the realities of building a research career.

Neuroscience

Why "undruggable" is a statement about our tools, not the disease

A short tour of intrinsically disordered proteins and why their flexibility breaks classical drug design — and what to do about it.

Coming soon
Machine Learning

Teaching a model to see a pocket that isn't there yet

The intuition behind learning structural signatures that precede pocket formation in a conformational ensemble.

Coming soon
Chemistry

Light as a reagent: the chemistry behind optogenetics

How photoswitches and caged molecules turn a beam of light into a precise chemical command for neurons.

Coming soon
Career

Doing real research as a student

Reflections on starting independent projects early, learning in public, and finding mentors.

Coming soon
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YouTube

Science explained — molecules, minds, and the methods in between.

▶ @nimitakhawat

Nimit Akhawat on YouTube

I make videos breaking down ideas in neuroscience, biochemistry, and AI for drug discovery — translating dense research into something you can actually follow. New explainers added regularly.

▶ Watch on YouTube Subscribe
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Discussion

Ask questions, answer others, and discuss neuroscience, AI, chemistry, and drug discovery with a community of curious researchers. Vote up what's useful.

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Biology Quiz

A timed, 10-question challenge across drug discovery, neuroscience, biochemistry and beyond. Beat the clock, climb the leaderboard, and see exactly what you missed.

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Tournaments

Timed, scheduled competitions with a live leaderboard. Join during the window, answer fast, and win the ultimate prize: a 1:1 collaboration with Nimit.

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Contact & Collaborate

Open to collaborations, mentorship, and conversations with fellow researchers. Let's build something.

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Reach me directly

✉ hello@nimitakhawat.com

For research collaborations, speaking, or mentorship inquiries.

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