Search Results - arieh+warshel

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2022-011 - Enhancing Computational Enzyme Design with a Maximum Entropy Strategy

Biocatalysis and materials science; Bioremediation Food Industry Diagnostics and therapeutics Abstract USC researchers employed a maximum entropy (EMaxEnt) approach to accurately predict enzyme catalysis at the active site region, as well as stability at the more distant region. By inferring statistical energy from homologous sequences with the...

Published: 2/3/2026 Inventor(s): Arieh Warshel, Wenjun Xie
Category(s): Life Sciences > Biomaterials & Bioprinting, Life Sciences, Physical Sciences & Engineering > Advanced Materials & Nanotechnology, Physical Sciences & Engineering, Life Sciences > Therapeutics & Drug Development

11-474 - MOLARIS-XG Software

More information available from the Warshel Center for Multiscale Simulations Developed by Nobel Laureate Arieh Warshel, MOLARIS-XG is a specialized computational chemistry and molecular simulation software package that helps scientists model and predict how biomolecules behave, especially proteins, enzymes, and drug candidates. The software is especially...

Published: 5/15/2026 Inventor(s): Arieh Warshel
Category(s): Physical Sciences & Engineering > AI, Software & Computing, Physical Sciences & Engineering