BioDynLab
Our mission is to augment human health by empowering biomedical R&D with new knowledge that leads to medical breakthroughs
The Science of Molecular Complexity
Our Technology Platform and Product
Molecular complexity is a quantitative manifestation of its intricate dynamics and measures the encoded information. Breaking up complexity into components - the Atomic Participation Factors - identifies which atoms dominate dynamics and drive biological function.
OPTIMUS™ is a physics-based tool which leverages Molecular Dynamics, and analyzes molecular complexity to produce Atomic Participation Spectra.
The proprietary, training-free technology powering OPTIMUS™ is fast, bias free and provides 100% explainability.
OPTIMUS™ runs on Linux servers, leveraging the power of parallel processing.
Accelerating Lead Optimization
A deterministic, scalable approach enables independent lead optimization by augmenting medicinal chemistry expertise and AI-driven active learning.
Seamless Workflow Integration
OPTIMUS™ analyzes standard MD simulation outputs without requiring additional simulations or specialized protocols. Moreover, it can be integrated with existing workflows.
Analog Prioritization at Scale
OPTIMUS™ evaluates batches of analogs in lead series, helping prioritize which compounds to synthesize first.
Universal Applicability across Novel Targets
OPTIMUS™ delivers prioritization insights without requiring training data, enabling rapid deployment across novel targets and data-sparse therapeutic areas including orphan and rare diseases.
Our Services
Complexity Profiling of Small Molecules
Identification of Atomic Participation Spectra for batches of small molecules.
Protein Complexity Profiling
Identification of Amino Acid Participation Spectra of proteins and protein-ligand ensembles.
Lead Prioritization
Identification of which chemical modifications are likely to succeed, reducing time and resouce spent on low-potential compounds
What value does OPTIMUS™ offer to R&D teams?
Improved Compound Prioritization
OPTIMUS™ provides better guidance about which chemical modifications are likely to succeed, reducing time and resouce spent on low-potential compounds
Higher Compound Success Rates
OPTIMUS™ Improves the success rate of designed compounds, meaning fewer DMTA cycles are needed to identify candidates
Accelerated Lead-to-Candidate Progression
OPTIMUS™ compresses overall lead optimization timeline through enhanced decision-making and cycle efficiency
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