NMR-Based Configurational Assignments of Natural Products: How Floating Chirality Distance Geometry Calculations Simplify Gambling with 2N–1 Diastereomers
Using NMR data, the assignment of the correct 3D configuration and conformation to
unknown natural products is of pivotal importance in pharmaceutical and medicinal …
unknown natural products is of pivotal importance in pharmaceutical and medicinal …
Bayesian inference applied to NMR-based configurational assignments by floating chirality distance geometry calculations
Using NMR data, the assignment of the correct 3D configuration and conformation to
unknown natural products is of pivotal importance in pharmaceutical and medicinal …
unknown natural products is of pivotal importance in pharmaceutical and medicinal …
Programmable alignment media from self-assembled oligopeptide amphiphiles for the measurement of independent sets of residual dipolar couplings in organic …
Y Lin, J Li, SY Qin, H Sun, YL Yang… - Chemical …, 2022 - pubs.rsc.org
NMR spectroscopy in anisotropic media has emerged as a powerful technique for the
structural elucidation of organic molecules. Its application requires weak alignment of …
structural elucidation of organic molecules. Its application requires weak alignment of …
Study and quantification of the enantiodiscrimination power of four polymeric chiral LLCs using NAD 2D-NMR
P Berdagué, B Gouilleux, M Noll, S Immel… - Physical Chemistry …, 2022 - pubs.rsc.org
Identifying and understanding the role of key molecular factors involved in the orientation/
discrimination phenomena of analytes in polymer-based chiral liquid crystals (CLCs) are …
discrimination phenomena of analytes in polymer-based chiral liquid crystals (CLCs) are …
Residual‐Chemical‐Shift‐Anisotropy‐Based Enantiodifferentiation in Lyotropic Liquid Crystalline Phases Based on Helically Chiral Polyacetylenes
JC Fuentes‐Monteverde, M Noll, A Das… - Angewandte Chemie …, 2023 - Wiley Online Library
Anisotropic NMR spectroscopy, revealing residual dipolar couplings (RDCs) and residual
chemical shift anisotropies (RCSAs) has emerged as a powerful tool to determine the …
chemical shift anisotropies (RCSAs) has emerged as a powerful tool to determine the …
An Acrylonitrile‐Based Copolymer Gel as an NMR Alignment Medium for Extraction of Residual Dipolar Couplings of Small Molecules in Aqueous Solution
DS Carvalho, DGB da Silva, F Hallwass… - …, 2023 - Wiley Online Library
An NMR weakly‐aligning polymer gel has been prepared by copolymerization of
acrylonitrile and 2‐acrylamide‐2‐methyl‐1‐propanesulfonic acid in the presence of 1, 4 …
acrylonitrile and 2‐acrylamide‐2‐methyl‐1‐propanesulfonic acid in the presence of 1, 4 …
Poly (arylisocyanides) as versatile, enantiodiscriminating alignment media for small molecules
S Wesp, K Wolf, S Immel, M Reggelin - ChemPlusChem, 2022 - Wiley Online Library
Lyotropic liquid crystalline (LLC) phases of amino acid derived polyarylisocyanides were
employed as chiral alignment media for the measurement of residual dipolar couplings …
employed as chiral alignment media for the measurement of residual dipolar couplings …
NMR-based configurational assignments of natural products: Gibbs sampling and bayesian inference using floating chirality distance geometry calculations
Floating chirality restrained distance geometry (fc-rDG) calculations are used to directly
evolve structures from NMR data such as NOE-derived intramolecular distances or …
evolve structures from NMR data such as NOE-derived intramolecular distances or …
Anisotropic NMR Methods: Orthogonal Verification of Novel and Complex Natural Product Structures
RT WILLIAMSON - Residual Dipolar Couplings: Principles and …, 2024 - books.google.com
Nuclear magnetic resonance (NMR), mass spectrometry (MS), single crystal X-ray diffraction
(SCXD), and chemical synthesis are the four pillars of natural product (NP) structural …
(SCXD), and chemical synthesis are the four pillars of natural product (NP) structural …
RDC for Membrane Proteins
JJ Chou - 2024 - books.rsc.org
Despite the tremendous success of cryo-electron microscopy (cryo-EM) and crystallography,
especially lipidic cubic phase (LCP) crystallization, in visualizing membrane protein …
especially lipidic cubic phase (LCP) crystallization, in visualizing membrane protein …