How to Cite LatticeZero

If you use LatticeZero in your research, please cite:

[LatticeZero Team]. "LatticeZero: Physics-Based Molecular Scoring with WebGPU Acceleration." Technical White Paper v0.9.7, February 2026. Available at https://app.latticezero.com/docs/technical-whitepaper-2026.

A preprint describing the IsoScore methodology, IsoPose search algorithm, and DEKOIS2 validation results is forthcoming on bioRxiv/ChemRxiv.

Technical White Paper

The full Technical White Paper (2026) covers:

• 14-term physics-based scoring function with per-target weight profiles
• Tie-corrected 5-fold cross-validation on 27 DEKOIS2 targets
• Y-scramble null controls and holdout validation
• Head-to-head comparison with Glide SP (0.821 vs 0.741 mean AUC, 16/22 wins)
• WebGPU architecture (4,000+ lig/sec rescoring, browser-native)
• Honest disclosure of limitations and failure analysis

Benchmark Data

For citing the benchmark suite used in our validation:

Vogel SM, Bajorath J. "DEKOIS: Demanding Evaluation Kits for Objective In Silico Screening - A Versatile Tool for Benchmarking Docking Programs and Scoring Functions." J Chem Inf Model. 2011;51(10):2650-2665. doi:10.1021/ci2001549

For the Glide SP and AutoDock Vina comparison data:

Wu Y, et al. "Decoding the limits of deep learning in molecular docking for drug discovery." Chem Sci. 2025;16:8773-8791.

For questions about methodology or collaboration inquiries, contact: info@latticezero.com