Independent Drug Discovery Lab

Independent Drug Discovery Lab. End-to-End Computational Pharmacology.

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Hanoi University of Science and Technology

Hanoi, Vietnam

Principal Investigator: Thang T. Dang

The Independent Drug Discovery Lab (IDD Lab) is an integrated computational research initiative operating at the intersection of End-to-End Drug Design, Therapeutic Bioinformatics, and Chemical Biology. We bridge the critical gap between isolated chemical extraction and actionable biological mechanisms.

Beyond Standard Prediction The modern pharmaceutical landscape is constrained by segmented pipelines and a reliance on rigid structural dogmas. IDD Lab operates on a different paradigm. We do not merely predict binding affinities or run isolated simulations; we architect comprehensive therapeutic workflows.

Operating outside the constraints of legacy institutional red tape, the lab is an agile, modality-agnostic think-tank. Our mission is to accelerate the Design-Make-Test-Analyze (DMTA) cycle by deploying advanced Computer-Aided Drug Design (CADD), from identifying the targets of uncharacterized natural products to the de novo hallucination of novel inhibitors.

Our Scientific Focus

  1. Target Deconvolution & Network Pharmacology: Transforming isolated cytotoxic compounds into mechanistically validated therapeutics through proprietary reverse-docking and protein-protein interaction (PPI) mapping.
  2. Generative Therapeutics & Rational Design: Utilizing structure-based genetic algorithms and molecular dynamics to engineer highly selective small-molecule inhibitors from the ground up.
  3. Lead Optimization & Polypharmacology: Refining molecular profiles for superior ADME characteristics, enhanced on-target selectivity, and engineered dual-action modulation.
  4. Frontier Structural Biology: Developing theoretical frameworks to address the “Dark Proteome,” shifting the paradigm from static structural biology toward ensemble-based drug design for intrinsically disordered targets.

Unencumbered Collaboration IDD Lab actively partners with global wet-lab investigators, synthetic organic chemists, and pharmacognosy research groups. We provide the computational resolution necessary to elevate standard extraction and synthesis reports into high-impact, mechanism-driven publications.

As we operate independently, we offer highly flexible, co-authorship-driven collaborations without the friction of traditional institutional bureaucracy.

selected publications

  1. Integrating Structure-Based Genetic Algorithms and Reinforcement Learning for the De Novo Discovery of Novel BACE1 Inhibitors
    Thang T. Dang and Mai N. Luong
    ChemRxiv, 2025
  2. System and Method for Synchronizing Media Delivery with Asynchronous AI Inference States
    Thang T. Dang
    2026
    USPTO Provisional Patent, Filed Feb 2026
  3. Semi-Automated Reverse Docking Pipeline
    Independent Drug Discovery Lab
    2026