SLEEPY: a comprehensive Python module for simulating relaxation and dynamics in nuclear magnetic resonance.

ABSTRACT: Nuclear magnetic resonance is a powerful method for characterizing dynamics of biological systems in a native-like environment. Accurate dynamics characterization, however, often requires simulations of complex NMR experiments. While a number of simulation programs exist for NMR simulation (SIMPSON, Spinach, SpinEvolution), none of these are focused on easy simulation of motional effects on NMR experiments. The SLEEPY Python module makes it straightforward to simulate arbitrary pulse sequences while including both relaxation and exchange processes. SLEEPY furthermore allows simulation of solid-state (static and spinning) and solution NMR experiments, using both truncated and full Hamiltonians (rotating frame/lab frame). We demonstrate its application to a wide variety of experiments, inclu

SUBMITTER: Smith AA 

PROVIDER: S-EPMC12537869 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature