Single Particle Analysis (SPA)

AI-powered particle detection and deep-learning 3D reconstruction for near-atomic resolution maps.

Key Features:

• Deep-Learning Particle Picking — crYOLO, Topaz, and DeepPicker CNNs trained on 10,000+ annotated micrographs detect particles across diverse sample types with >90% precision, eliminating the manual bottleneck.
• Symmetry-Aware AI Reconstruction — CryoEMNet-style group convolutions exploit molecular symmetry (C1 to I) for ab initio 3D reconstruction without external reference models, accelerating convergence.
• Heterogeneity Analysis — CryoDRGN variational autoencoders and 3DFlex neural networks resolve continuous and discrete conformational variability, delivering multiple 3D classes from a single dataset.
• Resolution Enhancement — DeepEMhancer and EMBuild deep-learning post-processing sharpen maps to near-atomic detail, facilitating accurate side-chain placement.

Ideal For: Virtual biotechs without cryo-EM expertise pursuing Membrane Protein & Lipid MD Simulation targets; large complexes (PPIs, ribosomes, viruses); programs requiring Hit Identification structural validation.

What We Offer: A fully computational SPA pipeline from raw movies to atomic models. You ship vitrified grids or raw data; we deliver particle counts, 2D class averages, 3D reconstructions, and fitted coordinates. AI-driven processing compresses months of manual work into weeks, while heterogeneity analysis captures functional states that single-model approaches miss.

AlphaFold-guided model building with cross-method validation for regulatory-grade structural evidence.

Key Features:

• AlphaFold-Guided Model Building — AlphaFold Protein Structure Prediction models are rigid-body fitted into density maps and refined with ISOLDE/Coot, accelerating initial model generation by 50–70%.
• Cross-Method Validation — SPA structures are cross-validated against AI-Assisted X-ray Crystallography Services data or AI-Enhanced NMR Spectroscopy Services restraints when available, ensuring consistency.
• Molecular Dynamics Map Validation — All-Atom Protein MD Simulation assesses model stability and identifies overfit regions, with trajectories compared against experimental density.
• FSC and Local Resolution Profiling — Gold-standard FSC curves and DeepRes local resolution maps quantify reconstruction quality per residue, guiding model confidence annotation.

Ideal For: Lead Optimization programs requiring IND-grade structural evidence; AI for Antibody & Biologics campaigns needing epitope-resolution complexes; Fragment-based Screening (FBS) hit validation.

What We Offer: Every structure ships with a validation package: FSC curves, local resolution maps, model-map correlation coefficients, and Molecular Dynamics (MD) Simulations-based stability assessment. Models are formatted for Molecular Docking Services, Virtual Screening Services, and Drug Design & Library Analysis campaigns.