Computational Drug Discovery. Delivered with Structural Precision.
NeoStellarLabs delivers molecular dynamics simulation, protein structure prediction, and structure-based virtual screening for biotech teams that need expert computational structural biology — without building an in-house team.
Founded by Sharoon Akhtar, PhD — Mayo Clinic, Cancer Biology
Our Services
Rapid structure analysis and binding site assessment for a target protein. Delivered in 5–7 business days. Ideal for early-stage target validation and go/no-go decisions.
Comprehensive computational analysis of a drug target: homology modeling, binding site mapping, virtual screening, and hit prioritization. Delivered in 3–4 weeks with full technical report.
Ongoing monthly access to expert computational biology guidance. Ideal for biotech teams needing a fractional computational scientist for target prioritization, data interpretation, and strategy. Starting at $5,000/month.
How It Works
01 — Discovery Call (Free)
A 30-minute call to understand your target, pipeline stage, and specific questions. No sales pitch. We determine together whether a computational approach is the right tool and what it will tell you.
02 — Scoping & Proposal
Within 48 hours of the discovery call, you receive a written project scope: specific analyses, deliverables, timeline, and fixed price. No ambiguity, no scope creep. Payment is handled via Stripe invoice after you approve the scope.
03 — Execution & Delivery
Work is executed in-house on dedicated GPU infrastructure. You receive a staged update at project midpoint and a final delivery package including the scientific report, all structural files, and a post-delivery review call to walk through findings and answer questions.
About the Founder
Sharoon Akhtar, PhD, earned his doctorate in Cancer Biology at the Mayo Clinic Graduate School of Biomedical Sciences, where his research integrated GPU-accelerated MD simulation, AlphaFold2-based structure prediction, and structure-based virtual screening to characterize novel oncology targets.
His doctoral work spans 8 production MD simulation systems generating 277 GB of validated trajectory data. A first-author manuscript reporting these findings is currently under review at the Journal of Biological Chemistry (2026).
Projects are executed by Sharoon directly: no junior associates, no outsourced computation.
Computational expertise: AMBER, GROMACS, AlphaFold2/ColabFold, ESMFold, AutoDock Vina, GNINA, DiffDock, Fpocket, PyMOL, VMD, RNA-seq analysis, proteomics data integration.
Ready to Move Your Target Forward?
Schedule a free 30-minute discovery call. We will review your target, discuss what computational structural biology can tell you at your current pipeline stage, and determine whether an engagement makes sense.No commitment required. No payment at booking. Stripe invoices are sent separately after a scope is agreed.Calls are 30 minutes. TidyCal will show available times in your local time zone.