Millsian Software Overview
Millsian software, built on a new classical approach to solving atoms and molecules, is a molecular modeling tool targeting pharmaceutical, biotechnology, and chemical researchers.
According to Millsian theory, electrons are localized in molecules to functional groups that act as building blocks, or independent units. Having solved each group, organic molecules of arbitrary size and complexity may be modeled trivially and almost instantly on a personal computer. Our results are verified by rigorous comparison to observed values, and outperform competing methods.
Millsian 2.2 Software is now available, with capabilities including:
Millsian 2.2 Features
|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.
File Types Read/Write and Import/Export
Whether you are in industry or academia, your feedback is vital to our ability to create an effective tool. Please feel free to suggest new features or specific problems you address in your line of work.
The Millsian Team