Accurate free energies for binding, selectivity, solubility, permeability, and more.
Statistical thermodynamics relates the microscopic properties of atoms and molecules to macroscopic properties, thereby explaining experimentally observable properties as a direct consequence of statistics, classical mechanics, and quantum theory at the atomistic level. At Silicon Therapeutics, we use statistical thermodynamics to compute biologically relevant quantities such as binding affinity, selectivity, membrane permeability, and solubility from molecular dynamics simulations. Furthermore, the decomposition of energies into components and functional group contributions leads to insights that could not otherwise be gained, thereby providing deeper understandings into our protein targets and enabling the design of new ligands that modulate properties in desirable ways.
About the Project Team
Silicon Therapeutics employs an exceptional team of outstanding life scientists and computer scientists with a unifying belief that we can make better medicines faster and cheaper using computers.