De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallography.
type: Dataset
description: International audience
issued: 2026-05-07T15:37:14.348035
language: en
modified: 2026-05-07T15:37:14.348039
contact point: Organization
  fn: CCSD
keyword: 11-beta-hydroxysteroid-dehydrogenase-type-1
keyword: 1st-principles
keyword: 5th-blind-test
keyword: carbon-carbon-connectivities
keyword: chimanalchemical-sciencesanalytical-chemistry
keyword: chimtheochemical-sciencestheoretical-andor-physical-chemistry
keyword: high-resolution-h-1
keyword: infoeu-reposemanticsarticle
keyword: journal-articles
keyword: polymorphs
keyword: quantum-chemical-calculations
keyword: shift-calculations
keyword: solid-state-nmr
keyword: spectroscopy
landing page: 0002-7863

De novo determination of the crystal structure of a large drug molecule by crystal structure prediction-based powder NMR crystallography.
type: Distribution
format: HTML
issued: 2026-05-07T15:37:14.349440
modified: 2026-05-07T15:37:14.331904
access URL: https://hal.science/hal-00924218

test_moissonnage_selune
type: Agent