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
Keywords(s):  
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

Computational enzymology Computer modeling of chemical reactions Chemical design Abstract Developed by Nobel Laureate Arieh Warshel, 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...

Published: 11/11/2025 Inventor(s): Arieh Warshel
Keywords(s):  
Category(s): Physical Sciences & Engineering > AI, Software & Computing