Molecular Intelligence

Molecular Intelligence is revolutionizing the molecular modeling field with state-of-the-art AI-driven computational tools that tackle a full range of modeling and validation problems. Our experienced scientists are available to leverage these tools in collaboration with research partners through our discovery and consulting services. Licensing is available for research partners to retain on-site control of proprietary information and confidential computations. Cryo-EM data can be demystified with our DeepMainmast, CryoREAD, and DAQ-Score offerings. DeepMainmast can model protein structure directly from cryo-EM density maps. Thanks to its combination of neural networks and combinatorial optimization, structures can be modeled even from density that is not classically of atomic resolution. CryoREAD employs a similar neural network architecture to model the structures of nucleic acids, and has been validated against structures for example including RNA from SARS-CoV-2. For partners with existing structure models, DAQ-Score retargets this neural network architecture to identify residues that have potentially been incorrectly assigned to a density region. Partners can rest easy knowing that even with imperfect density maps, main-chain shifts, ligands, and prosthetic groups can be modeled. Outside of cryo-EM, Molecular Intelligence can also assist partners with projects entailing protein and RNA structure prediction, virtual screening, protein docking, prediction of protein-protein interactions, molecular dynamics simulation, pocket finding, peptide design, and RNA (aptamer) design. Contact us at molintelligence@gmail.com if you are interested in our services or in licensing our software.