Quantum Biology

Service Overview

Explore and model biological phenomena at the quantum mechanical level. Our quantum biology services combine computational chemistry, quantum physics, and molecular biology to understand how quantum effects influence biological processes including photosynthesis, enzyme catalysis, DNA mutations, and cellular magnetoreception.

We use advanced simulation methods and quantum mechanical calculations to study biomolecular systems with unprecedented accuracy, enabling drug discovery, protein engineering, and fundamental research into the quantum nature of life.

Core Capabilities

• Quantum Mechanical Simulations: Ab initio and DFT calculations for biomolecular systems, electron transfer, and chemical reactions
• QM/MM Hybrid Methods: Combined quantum mechanics and molecular mechanics for large biomolecular systems
• Protein-Ligand Interactions: Quantum-accurate modeling of drug binding, enzyme-substrate complexes, and molecular recognition
• Photosynthetic Systems: Study quantum coherence in light-harvesting complexes and energy transfer mechanisms
• Enzyme Catalysis: Model quantum tunneling in enzymatic reactions and design improved catalysts
• DNA Damage & Repair: Quantum modeling of radiation-induced DNA damage and repair mechanisms

Best Practices & Methodologies

Computational Approach

• Multi-Scale Modeling: Integrate quantum, atomistic, and coarse-grained simulations for comprehensive system understanding
• Basis Set Selection: Appropriate basis sets for accuracy-performance trade-offs (6-31G*, cc-pVDZ, etc.)
• Functional Selection: DFT functional choice (B3LYP, M06-2X, ωB97X-D) based on system and property
• Solvation Models: Implicit and explicit solvation for aqueous biological environments
• Validation: Experimental validation through collaboration with experimental labs
• HPC Optimization: Efficient use of supercomputing resources for large-scale simulations

Software & Tools

Industry Applications