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Updated: Jul 8, 2026

Using Solution NMR to Characterize Biomolecular Condensates Under Biphasic Conditions
Published on: April 17, 2026
Monte Carlo simulation of DNMR spectra of coupled spin systems
Zsófia Szalay1, János Rohonczy
1Department of Inorganic Chemistry, Institute of Chemistry, Eötvös Loránd University, 112. Pf: 32, H-1518 Budapest, Hungary.
Abstract:
A new program MC-DNMR is presented for the simulation of dynamic nuclear magnetic resonance spectra. The algorithm is a Monte Carlo type method based on the extension of single spin vector model to coupled spin systems. This extension is explained in detail and the theory is justified by examples. The main advantage of this program is the significantly smaller sizes of matrices than that in programs based on density matrix theory. So spectra of systems can be simulated that was impossible previously.
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