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Welcome to the New Millsian Site!

C60 Fullerene


Bis-Cyclopentadienyl Iron

Millsian, Inc., is the future of molecular modeling. Utilizing a new classical approach to solving atoms and molecules, our software will help researchers design the next generation of pharmaceuticals.

 Download the Free Trial of Millsian 2.1 Beta

Millsian 2.1 Beta is now available! This is a significant advancement in our technology, and with it you can:

Log P- The partition coefficient is one criterion used to, amongst many uses,  assess the druglikeness of a given molecule.

Evaluate molecules for binding sites, reactive sites, and pockets, using our exact charge distribution profiles and optimized molecular structures.

Calculate optimized molecular structures for molecules not in existing databases. Reduce your reliance on molecular structure databases.

Edit protein structures by auto-detecting missing hydrogens, and use our bond order correction tool for complex molecules like PDB heterogens.

Calculate dipole moments and rotation barrier heights for molecular conformation changes.

Convert between SMILES, MOL, and PDB file formats.

Generate optimized 3D structures for molecules with complicated fused rings from SMILES input.

Learn more…

See how Millsian’s results are verified by rigorous comparison to observed values, and outperform competing methods.