From first-principles calculations to AI-driven predictions, we provide the full spectrum of computational chemistry services to accelerate your research.
Density Functional Theory and Quantum Electrodynamics calculations for precise electronic structure analysis. Apply DFT and quantum mechanical methods to model electronic structures and molecular interactions with precision.
Request This ServiceHigh-fidelity molecular models using quantum chemistry methods for drug-target interactions. Leverage quantum mechanical calculations for accurate binding affinity predictions and lead optimization.
Request This ServiceLeverage machine learning for QSAR models, ADMET predictions, and virtual screening of compound libraries. Quantitative structure-activity relationship models enhanced with machine learning algorithms.
Request This ServiceIn silico ADMET profiling using validated computational models for early-stage compound assessment. Predict absorption, distribution, metabolism, excretion, and toxicity early in your pipeline.
Request This ServiceMolecular dynamics simulations to understand protein flexibility and binding thermodynamics. Discover novel allosteric binding sites through MD ensemble analysis.
Request This ServiceDeliver comprehensive reports with prioritized compounds, optimization strategies, and clear recommendations. We build custom computational workflows tailored to your specific research objectives.
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