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.
Millsian 2.1 Beta is now available! This is a significant advancement in our technology, and with it you can:
| 👁 Image |
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. |
|
See how Millsian’s results are verified by rigorous comparison to observed values, and outperform competing methods.