A complete computational drug discovery toolkit for Alzheimer's research. Free for academic researchers.
Identify and validate druggable Alzheimer's targets
Virtual screening across millions of compounds
Molecular docking and binding simulation
De novo molecule generation and optimization
Toxicology, ADMET, and stability checks
Each target has been validated against published literature and is ready for computational screening.
NAD+ salvage pathway, rate-limiting enzyme
Beta-secretase, amyloid precursor cleavage
Tau phosphorylation, glycogen synthase kinase
Glutamate receptor, excitotoxicity pathway
Acetylcholinesterase, cholinergic signaling
Autophagy regulation, protein clearance
Microglial activation, neuroinflammation
Sirtuin deacetylase, NAD+-dependent
Phosphodiesterase, cAMP/CREB signaling
Inflammatory transcription factor
Comprehensive coverage from screening to validation.
Multi-engine consensus docking with physics-based and AI-driven scoring for reliable binding prediction.
Predictive toxicology, absorption, distribution, metabolism, excretion, and toxicity profiling.
State-of-the-art protein structure prediction for novel target structures. MSA generation, confidence scoring, and quality validation for docking-ready models.
Molecular dynamics simulation for binding free energy, conformational analysis, and trajectory visualization.
AI-driven molecule generation tuned for BBB penetration, potency, and synthesizability.
Physics-based and ML scoring for thermal stability and binding affinity change prediction.
Our toolkit was built for the NAD+ pathway -- but it works with any Alzheimer's target. Researchers can plug in their own protein structures, compounds, and hypotheses.
Free for academic researchers. Runs on standard hardware.
Download the complete platform or request a custom analysis for your specific target.