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Explicit solvent
Structure and ensemble refinement against SAXS data: Combining MD simulations with Bayesian inference or with the maximum entropy principle
Small-angle X-ray scattering (SAXS) is a powerful method for tracking conformational transitions of proteins or soft-matter complexes …
Leonie Chatzimagas
,
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bioRxiv
Interpreting SAXS/WAXS Data with Explicit-Solvent Simulations: A Practical Guide
Small- and wide-angle X-ray scattering (SAXS/WAXS/SWAXS) have evolved to be accurate tools used to gain structural information of …
Markus Hermann
,
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