Molaris-XG Software

Nobel Laureate, Arieh Warshel, Distinguished Professor of Chemistry and Biochemistry at the University of Southern California, is best known for his work on computational biochemistry and biophysics. He pioneered computer simulations of the functions of biological systems, and developed what is known today as Computational Enzymology.

Developed by Dr. Arieh Warshel and coworkers, MOLARIS-XG is a suite of powerful software programs for simulating the key functional properties of proteins, including catalytic power, folding energy, redox properties, drug binding, pKa‘s, conformational transition, ion transfer and optical properties, as well as QM/MM capacity. This is important for new drugs, better solar cells and more efficient chemical properties.

One of the key new features of MOLARIS-XG is its ability to estimate absolute protein stability, as well as its unique ability to optimize protein stability by iteratively selecting the most beneficial mutations of the target protein. MOLARIS-XG also provides a way to refine artificial enzymes by selecting the most effective mutations. These abilities are based in part on a coarse-grained (CG) model with a specialized selection of optimal dielectric constants for the self-energy and chargeā€“charge interactions.

PleaseĀ visit our Flintbox website for more information about the technology and potential licensing opportunities.