[ASAP] Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations

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[ASAP] Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations

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NMR processing:

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Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

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GeNMR

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Structure from chemical shifts:

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Torsion angles from chemical shifts:

Preditor

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Promega- Proline

Secondary structure from chemical shifts:

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Poulsen_rc_CS

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DisMeta

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04-13-2022, 09:45 PM

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[ASAP] Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations

[ASAP] Bayesian Inference Applied to NMR-Based Configurational Assignments by Floating Chirality Distance Geometry Calculations

Stefan Immel, Matthias Ko?ck||, and Michael Reggelin

Journal of the American Chemical Society
DOI: 10.1021/jacs.2c00813

Source: Journal of the American Chemical Society

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