Bridging the gap between fast docking and accurate quantum mechanics. We predict protein-ligand binding affinities with near-DFT fidelity to accelerate drug discovery.
Partner With UsComputational drug discovery faces a fundamental bottleneck. Classical docking methods are fast but often unreliable, leading to high false-positive rates and costly experimental failures.
Conversely, methods based on Quantum Mechanics (QM) are accurate but too computationally expensive for screening millions of molecules. The industry needs a solution that offers QM rigor at docking cost.
Unlike force fields, our method leverages quantum mechanical electron densities with near-DFT fidelity.
We reduce computation time from minutes (standard DFT) to under 1 second per structure, enabling the screening of ~1 million compounds per day.
We accurately re-rank the millions of ligands emerging from docking campaigns, identifying the true binders that classical tools miss.
Co-development for Pharma & Biotech
We collaborate directly with pharmaceutical and academic medicinal chemists to accelerate hit-to-lead optimization.
SaaS & AWS Deployment
License the Quantum Click software to run within your own infrastructure or via AWS, empowering your internal teams.
vs >4 kcal/mol for classical force fields
Against minutes/hours for conventional QM/MM methods
Molecules per day throughput
Quantum Click has been benchmarked against the S22 & S66 sets for weak inter-molecular interactions and tested on JNK3 protein–ligand complexes. Our method consistently matches or outperforms the festest QM methods available while running orders of magnitude faster.
Patent Pending: "Computer implemented method for quantum mechanical binding affinity scoring" (US 63/272,543).
CEO
Business strategy and commercialization development
CTO
Research and product development
Professor of Physics, Rutgers University
Consultant and co-founder
Interested in licensing Quantum Click or discussing a partnership? Contact our team to schedule a demo or pilot study.
We have secured NIH seed funding and completed the NSF I-Corps National program and are currently validating pilots with industry partners.