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SAXS
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
,
Jochen Hub
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DOI
bioRxiv
Predicting solution scattering patterns with explicit-solvent molecular simulations
Small-angle X-ray or neutron scattering (SAXS/SANS/SAS) is widely used to obtain structural information on biomolecules or soft-matter …
Leonie Chatzimagas
,
Jochen Hub
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DOI
arXiv
Solution Structural Studies of Pre-amyloid Oligomer States of the Biofilm Protein Aap
Staphylococcus epidermidis is a commensal bacterium on human skin that is also the leading cause of medical device-related infections. …
Alexander E. Yarawsky
,
Jesse B. Hopkins
,
Leonie Chatzimagas
,
Jochen Hub
,
Andrew B. Herr
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DOI
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
,
Jochen Hub
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