hopanoid / Enzyme-Reaction-Dynamics-Tutorial Star 1 Code Issues Pull requests A QM-MM Tutorial of Enzyme Reaction Dynamics ambertools protein-ligand-interactions qm-mm vdd md-simulations terachem enzyme-kinetics nbo enzyme-reactions Updated Mar 25, 2025 Shell
roberts-farm-of-ideas / 7 Star 0 Code Issues Pull requests Measuring the invisible: exploiting a two-substrate two-product equilibrium to determine the decomposition rate of one of the products open-science decomposition compound decay substrate equilibrium equilibrium-constants science-ideas unobservability enzyme-reactions decomposition-rate Updated Jun 9, 2025
roberts-farm-of-ideas / 6 Star 0 Code Issues Pull requests When is it favorable to do two-step or one-pot coupled enzyme reactions? open-science breakeven workup science-ideas coupled-enzyme-reactions enzyme-reaction cascade-reactions enzyme-reactions Updated Jun 8, 2025