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.
AutoDock Vina, GNINA, DiffDock, SMINA, rDock. Multi-engine consensus scoring across 5 open-source docking engines.
5 enginesPredictive toxicology, absorption, distribution, metabolism, excretion, and toxicity profiling.
8 modelsBoltz-2, ESMFold, and AlphaFold2 interfaces for protein structure prediction and modeling.
3 modelsGROMACS integration for molecular dynamics. Binding free energy, conformational analysis, trajectory visualization.
5 toolsAI-driven molecule generation tuned for BBB penetration, potency, and synthesizability.
4 generatorsThermodynamic stability prediction, mutational analysis, and binding affinity scoring across 6 complementary engines.
6 toolsOur 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.