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
A quantitative link between structure, dynamics, and biological function
Our Technology Platform and Product
Molecular complexity is a quantitative manifestation of the intricate dynamics of its atoms and measures encoded information. Decomposition of complexity into its components - the Atomic Participation Factors - identifies which atoms drive biological function.
OPTIMUS™, is physics-based and combines Molecular Dynamics and the Quantitative Complexity Theory, to produce Atomic Participation Spectra.
Knowing which atoms drive molecular dynamics assists medicinal chemists by accelerating lead optimization.
The proprietary, training-free technology powering OPTIMUS™ is fast, bias-free and provides 100% explainability.
Accelerating Lead Optimization
OPTIMUS™ focuses on the intrinsic complexity of molecular architectures, offering a complementary dimension to potency-driven optimization, especially in early hit-to-lead or lead refinement phases where subtle changes in topology or electron distribution critically impact activity and selectivity.
Seamless Workflow Integration
OPTIMUS™ outputs can be readily integrated with existing cheminformatics and design tools without adding excessive computational complexity.
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
Hit-to-lead or Lead Refinement
Complementary dimension to potency-driven optimization especially in early hit-to-lead or lead refinement phases where subtle changes in topology or electron distribution can critically impact activity and selectivity.
Integration with AI pipelines
Augmenting AI-enabled multi-parameter optimization for ADME/Tox prediction by combining it with atomic participation factor driven optimization
Protein Complexity Profiling
Identification of Amino Acid Participation Spectra of proteins and protein-ligand ensembles.
Analogue Prioritization and Design
Identifying structural motifs with optimal complexity profiles linked to biological performance and providing an interpretable structural novelty, reducing over-engineering of analogues.
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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