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nmrdb.org specifications


Unique identifier OMICS_07684
Name nmrdb.org
Software type Toolkit/Suite
Interface Web user interface, Application programming interface
Restrictions to use None
Programming languages Java, Javascript
Computer skills Basic
Version 2.0
Stability Stable
Maintained Yes


  • 1H NMR Assignment
  • NMR Resurector
  • NMR Simulator
  • Predict 13C NMR
  • Predict 1H NMR
  • Predict 2D
  • Predict COSY
  • Predict HSQC/HMBC


  • person_outline Luc Patiny <>

Publications for nmrdb.org

nmrdb.org in publications

PMCID: 5784592
PMID: 29368653
DOI: 10.1186/s12977-018-0393-6

[…] molecule fret (smfret) can be performed on long rnas but requires only small quantities of sample to predict native sequences in their physiological conditions []. it relies first on shape data to predict 2d stuctures, which are then interpreted in 3d using smfret-derived distance constraints. it works on the principle of energy transfer through dipole–dipole interactions between the donor […]

PMCID: 5656417
PMID: 29075671
DOI: 10.1126/sciadv.aao0476

[…] fig. s1. synthesis of qp monomer., fig. s2. nmr assignment of 3,3″-dibromo-para-terphenyl., fig. s3. nmr assignment of qp monomer., fig. s4. 1h nmr assignment of spp-qp (titrated iec = 2.4 mmol g−1) copolymer., fig. s5. morphology of spp-qp (titrated iec = 2.4 mmol g−1) membrane., fig. s6. saxs profile., fig. s7. number of absorbed water […]

PMCID: 5698732
PMID: 28906074
DOI: 10.1002/anie.201708266

[…] signals. the non‐equivalence of the two methyl groups that is due to the neighboring chiral center (two doublets) is correctly reproduced by our approach (but not in the simulation according to www.nmrdb.org). notable are the substantially different chemical shifts of the two conformers, yielding a better agreement with the experiment when averaged., as a textbook example for a stereochemically […]

PMCID: 5544701
PMID: 28779140
DOI: 10.1038/s41598-017-07518-9

[…] interaction between metal and b layers. similarly, a bilayer form of mgb6 sandwiching the mg layer between two b3 kagome layers was found to be stable. despite a number of theoretical attempts to predict 2d boron allotropes, only a few 2d boron sheets have been synthesized on metal substrates, such as a quasi-2d layer of γ-b28 , a 2d triangular sheet (generally referred to as borophene), […]

PMCID: 5522398
PMID: 28733634
DOI: 10.1038/s41598-017-05420-y

[…] states of p x,y orbitals for asbii2 and sbbii2 monolayers is distinctly different from the cases of functionalized iii-v and iv films, , , , , indicating that it is an unconventional mechanism to predict 2d tis.figure 4 , a qsh insulator is usually represented by a topological invariant z2 = 1. thus, to verify our supposition, we calculate the z2 invariant of abi2 monolayers by the scheme […]

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nmrdb.org institution(s)
Ecole Polytechnique Fédérale de Lausanne (Switzerland) and Universidad del Valle, Colombia

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